2-(aminomethyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pentanamide

C15H24N2O2 — CID 81387473

IUPAC2-(aminomethyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pentanamide
SMILESCCCC(CN)C(=O)N[C@H](C)c1ccccc1OC
InChIInChI=1S/C15H24N2O2/c1-4-7-12(10-16)15(18)17-11(2)13-8-5-6-9-14(13)19-3/h5-6,8-9,11-12H,4,7,10,16H2,1-3H3,(H,17,18)/t11-,12?/m1/s1
InChIKeyNKBIAIJMGJGOSI-JHJMLUEUSA-N
MW264.37 g/mol
LogP2.25
Rot. Bonds7

About 2-(aminomethyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pentanamide

2-(aminomethyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pentanamide (PubChem CID 81387473) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pentanamide
PubChem CID81387473
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-(aminomethyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pentanamide
SMILESCCCC(CN)C(=O)N[C@H](C)c1ccccc1OC
InChIInChI=1S/C15H24N2O2/c1-4-7-12(10-16)15(18)17-11(2)13-8-5-6-9-14(13)19-3/h5-6,8-9,11-12H,4,7,10,16H2,1-3H3,(H,17,18)/t11-,12?/m1/s1
InChIKeyNKBIAIJMGJGOSI-JHJMLUEUSA-N
XLogP2.25
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]butanamide
CID 81387150
2-(aminomethyl)-N-[1-(2-methoxyphenyl)ethyl]butanamide
CID 65229535
2-(aminomethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-methylpentanamide
CID 81387704
2-(aminomethyl)-N-[(1R)-1-(2-methylphenyl)ethyl]pentanamide
CID 81374264
2-amino-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 60718632
2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide
CID 81387938
(2S,3S)-2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylpentanamide
CID 81387074
(2S,3S)-2-amino-N-[1-(2-methoxyphenyl)ethyl]-3-methylpentanamide
CID 61260006
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
4-amino-5-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-5-oxopentanoic acid
CID 81387858

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pentanamide?
The IUPAC name of 2-(aminomethyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pentanamide (CID 81387473) is 2-(aminomethyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pentanamide?
The canonical SMILES for 2-(aminomethyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pentanamide is CCCC(CN)C(=O)N[C@H](C)c1ccccc1OC.
What is the InChIKey of 2-(aminomethyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pentanamide?
The InChIKey is NKBIAIJMGJGOSI-JHJMLUEUSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-7-12(10-16)15(18)17-11(2)13-8-5-6-9-14(13)19-3/h5-6,8-9,11-12H,4,7,10,16H2,1-3H3,(H,17,18)/t11-,12?/m1/s1.
What are the key properties of 2-(aminomethyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pentanamide?
2-(aminomethyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pentanamide has a molecular weight of 264.37 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pentanamide is sourced from PubChem (CID 81387473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).