2-(aminomethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]butanamide

C14H22N2O2 — CID 81387150

IUPAC2-(aminomethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]butanamide
SMILESCCC(CN)C(=O)N[C@@H](C)c1ccccc1OC
InChIInChI=1S/C14H22N2O2/c1-4-11(9-15)14(17)16-10(2)12-7-5-6-8-13(12)18-3/h5-8,10-11H,4,9,15H2,1-3H3,(H,16,17)/t10-,11?/m0/s1
InChIKeyIOJJLHNCMFIKEV-VUWPPUDQSA-N
MW250.34 g/mol
LogP1.86
Rot. Bonds6

About 2-(aminomethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]butanamide

2-(aminomethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]butanamide (PubChem CID 81387150) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]butanamide
PubChem CID81387150
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(aminomethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]butanamide
SMILESCCC(CN)C(=O)N[C@@H](C)c1ccccc1OC
InChIInChI=1S/C14H22N2O2/c1-4-11(9-15)14(17)16-10(2)12-7-5-6-8-13(12)18-3/h5-8,10-11H,4,9,15H2,1-3H3,(H,16,17)/t10-,11?/m0/s1
InChIKeyIOJJLHNCMFIKEV-VUWPPUDQSA-N
XLogP1.86
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-[1-(2-methoxyphenyl)ethyl]butanamide
CID 65229535
2-(aminomethyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pentanamide
CID 81387473
2-(aminomethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-methylpentanamide
CID 81387704
(2S,3S)-2-amino-N-[1-(2-methoxyphenyl)ethyl]-3-methylpentanamide
CID 61260006
(2S,3S)-2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylpentanamide
CID 81387074
2-amino-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 60718632
2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide
CID 81387938
3-(aminomethyl)-N-[1-(2-methoxyphenyl)ethyl]pentanamide
CID 81087802
2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylbutanamide
CID 81387944
2-bromo-N-[(1R)-1-(2-methoxyphenyl)ethyl]propanamide
CID 107905549
2-amino-3-methoxy-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 81089691
2-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]butanamide
CID 78813044

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]butanamide?
The IUPAC name of 2-(aminomethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]butanamide (CID 81387150) is 2-(aminomethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]butanamide?
The canonical SMILES for 2-(aminomethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]butanamide is CCC(CN)C(=O)N[C@@H](C)c1ccccc1OC.
What is the InChIKey of 2-(aminomethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]butanamide?
The InChIKey is IOJJLHNCMFIKEV-VUWPPUDQSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-11(9-15)14(17)16-10(2)12-7-5-6-8-13(12)18-3/h5-8,10-11H,4,9,15H2,1-3H3,(H,16,17)/t10-,11?/m0/s1.
What are the key properties of 2-(aminomethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]butanamide?
2-(aminomethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]butanamide has a molecular weight of 250.34 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]butanamide is sourced from PubChem (CID 81387150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).