2-(aminomethyl)-N-(3-chloro-4-methylphenyl)pentanamide

C13H19ClN2O — CID 65224354

IUPAC2-(aminomethyl)-N-(3-chloro-4-methylphenyl)pentanamide
SMILESCCCC(CN)C(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C13H19ClN2O/c1-3-4-10(8-15)13(17)16-11-6-5-9(2)12(14)7-11/h5-7,10H,3-4,8,15H2,1-2H3,(H,16,17)
InChIKeyBSQVNDHUYWBJQN-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.96
Rot. Bonds5

About 2-(aminomethyl)-N-(3-chloro-4-methylphenyl)pentanamide

2-(aminomethyl)-N-(3-chloro-4-methylphenyl)pentanamide (PubChem CID 65224354) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3-chloro-4-methylphenyl)pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(3-chloro-4-methylphenyl)pentanamide
PubChem CID65224354
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name2-(aminomethyl)-N-(3-chloro-4-methylphenyl)pentanamide
SMILESCCCC(CN)C(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C13H19ClN2O/c1-3-4-10(8-15)13(17)16-11-6-5-9(2)12(14)7-11/h5-7,10H,3-4,8,15H2,1-2H3,(H,16,17)
InChIKeyBSQVNDHUYWBJQN-UHFFFAOYSA-N
XLogP2.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-N-(3-chloro-4-methylphenyl)-2-ethylpentanamide
CID 112517472
2-(aminomethyl)-N-[3-chloro-4-(difluoromethoxy)phenyl]pentanamide
CID 65229433
(2S)-2-amino-N-(3-chloro-4-methylphenyl)hexanamide
CID 113304721
2-(aminomethyl)-N-(4-chloro-2-methylphenyl)pentanamide
CID 65225535
ethyl N-[4-[2-(aminomethyl)pentanoylamino]phenyl]carbamate
CID 65225386
2-amino-N-(3-chloro-4-methylphenyl)propanamide
CID 24694047
5-[2-(aminomethyl)pentanoylamino]benzene-1,3-dicarboxylic acid
CID 65229252
5-amino-N-(3-chloro-4-methylphenyl)-4-methylpentanamide
CID 82683230
methyl N-[3-[2-(aminomethyl)pentanoylamino]phenyl]carbamate
CID 65229667
methyl 4-[2-(aminomethyl)pentanoylamino]benzoate
CID 65229383
1-(1-aminopropan-2-yl)-3-(3-chloro-4-methylphenyl)urea
CID 63731547
2-(aminomethyl)-N-(2-chloro-5-fluorophenyl)pentanamide
CID 107528482

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(3-chloro-4-methylphenyl)pentanamide?
The IUPAC name of 2-(aminomethyl)-N-(3-chloro-4-methylphenyl)pentanamide (CID 65224354) is 2-(aminomethyl)-N-(3-chloro-4-methylphenyl)pentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(3-chloro-4-methylphenyl)pentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(3-chloro-4-methylphenyl)pentanamide is CCCC(CN)C(=O)Nc1ccc(C)c(Cl)c1.
What is the InChIKey of 2-(aminomethyl)-N-(3-chloro-4-methylphenyl)pentanamide?
The InChIKey is BSQVNDHUYWBJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-3-4-10(8-15)13(17)16-11-6-5-9(2)12(14)7-11/h5-7,10H,3-4,8,15H2,1-2H3,(H,16,17).
What are the key properties of 2-(aminomethyl)-N-(3-chloro-4-methylphenyl)pentanamide?
2-(aminomethyl)-N-(3-chloro-4-methylphenyl)pentanamide has a molecular weight of 254.76 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(3-chloro-4-methylphenyl)pentanamide is sourced from PubChem (CID 65224354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).