2-(aminomethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]-4-methylpentanamide

C15H23ClN2O — CID 81378675

IUPAC2-(aminomethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]-4-methylpentanamide
SMILESCC(C)CC(CN)C(=O)N[C@@H](C)c1ccccc1Cl
InChIInChI=1S/C15H23ClN2O/c1-10(2)8-12(9-17)15(19)18-11(3)13-6-4-5-7-14(13)16/h4-7,10-12H,8-9,17H2,1-3H3,(H,18,19)/t11-,12?/m0/s1
InChIKeyLOEWCSIPZPRLPL-PXYINDEMSA-N
MW282.81 g/mol
LogP3.14
Rot. Bonds6

About 2-(aminomethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]-4-methylpentanamide

2-(aminomethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]-4-methylpentanamide (PubChem CID 81378675) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]-4-methylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]-4-methylpentanamide
PubChem CID81378675
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name2-(aminomethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]-4-methylpentanamide
SMILESCC(C)CC(CN)C(=O)N[C@@H](C)c1ccccc1Cl
InChIInChI=1S/C15H23ClN2O/c1-10(2)8-12(9-17)15(19)18-11(3)13-6-4-5-7-14(13)16/h4-7,10-12H,8-9,17H2,1-3H3,(H,18,19)/t11-,12?/m0/s1
InChIKeyLOEWCSIPZPRLPL-PXYINDEMSA-N
XLogP3.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-methylpentanamide
CID 81387704
(3S)-3-(aminomethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]-5-methylhexanamide
CID 81378546
2-amino-N-[(1R)-1-(2-chlorophenyl)ethyl]propanamide
CID 81378427
2-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]acetamide
CID 81378449
2-amino-N-[1-(2-chlorophenyl)ethyl]acetamide;hydrochloride
CID 119268984
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 81378790
(2S)-2-amino-N-[1-(2-chlorophenyl)ethyl]-3-methylpentanamide
CID 61258252
N-[1-(2-chlorophenyl)ethyl]-3-methylbutanamide
CID 78773468
2-(aminomethyl)-N-[(1S)-1-(4-bromophenyl)ethyl]-4-methylpentanamide
CID 81359365
3-(2-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]propanamide
CID 107273000
N-[1-(2-chlorophenyl)ethyl]-2-(methylamino)acetamide
CID 60641198
(2S)-2-acetamido-N-[(1S)-1-(2-chlorophenyl)ethyl]-3-methylbutanamide
CID 93238063

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]-4-methylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]-4-methylpentanamide (CID 81378675) is 2-(aminomethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]-4-methylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]-4-methylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]-4-methylpentanamide is CC(C)CC(CN)C(=O)N[C@@H](C)c1ccccc1Cl.
What is the InChIKey of 2-(aminomethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]-4-methylpentanamide?
The InChIKey is LOEWCSIPZPRLPL-PXYINDEMSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-10(2)8-12(9-17)15(19)18-11(3)13-6-4-5-7-14(13)16/h4-7,10-12H,8-9,17H2,1-3H3,(H,18,19)/t11-,12?/m0/s1.
What are the key properties of 2-(aminomethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]-4-methylpentanamide?
2-(aminomethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]-4-methylpentanamide has a molecular weight of 282.81 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]-4-methylpentanamide is sourced from PubChem (CID 81378675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).