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Intramolecular interactions governing the conformational behavior of 2-aminopropan-1-ol and its methyl ether: hydrogen bonding, gauche effect, and metallic interactions

Lauane C. Mendonça and Matheus P. Freitas

Beilstein J. Org. Chem. 2026, 22, 1649–1659. https://doi.org/10.3762/bjoc.22.133

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Chemical structure C<sub>3</sub>H<sub>9</sub>NO

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Extracted from

Figure 1

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₃H₉NO
Molecular Weight	75.11 g/mol
Exact Mass	75.0684 Da
InChI	InChI=1S/C3H9NO/c1-3(4)2-5/h3,5H,2,4H2,1H3
InChIKey	BKMMTJMQCTUHRP-UHFFFAOYSA-N
SMILES	CC([C@]([H])([H])O)N
Number of Atoms	14
Number of H-Bond Acceptors	2
Number of H-Bond Donors	2
Atoms in the Largest π-System	0
XLogP	-0.8

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