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

C13H19ClN2O — CID 65225535

IUPAC2-(aminomethyl)-N-(4-chloro-2-methylphenyl)pentanamide
SMILESCCCC(CN)C(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C13H19ClN2O/c1-3-4-10(8-15)13(17)16-12-6-5-11(14)7-9(12)2/h5-7,10H,3-4,8,15H2,1-2H3,(H,16,17)
InChIKeySYSOCBPUICSLOL-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.96
Rot. Bonds5

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

2-(aminomethyl)-N-(4-chloro-2-methylphenyl)pentanamide (PubChem CID 65225535) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(4-chloro-2-methylphenyl)pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(4-chloro-2-methylphenyl)pentanamide
PubChem CID65225535
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name2-(aminomethyl)-N-(4-chloro-2-methylphenyl)pentanamide
SMILESCCCC(CN)C(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C13H19ClN2O/c1-3-4-10(8-15)13(17)16-12-6-5-11(14)7-9(12)2/h5-7,10H,3-4,8,15H2,1-2H3,(H,16,17)
InChIKeySYSOCBPUICSLOL-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

2-(aminomethyl)-N-(4-hydroxy-2-methylphenyl)pentanamide
CID 65228312
N-(4-chloro-2-methylphenyl)-2-ethylbutanamide
CID 882107
4-[2-(aminomethyl)pentanoylamino]-N-ethyl-3-methylbenzamide
CID 65229718
2-(aminomethyl)-N-(3-chloro-4-methylphenyl)pentanamide
CID 65224354
2-(aminomethyl)-N-(2-chloro-5-fluorophenyl)pentanamide
CID 107528482
2-(aminomethyl)-N-(2-chloro-4-cyanophenyl)pentanamide
CID 114003459
2-(aminomethyl)-N-(2,3-dichlorophenyl)pentanamide
CID 65225946
3-[2-(aminomethyl)pentanoylamino]-4-fluorobenzoic acid
CID 65225321
N-(4-chloro-2-methylphenyl)-2,2-difluoroacetamide
CID 103605147
2-(aminomethyl)-N-(4-bromo-2-ethylphenyl)pentanamide
CID 81292193
2-(aminomethyl)-N-(4-methyl-2-nitrophenyl)pentanamide
CID 65225301
N-(4-chloro-2-methylphenyl)-2-cyanobutanamide
CID 55207021

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(4-chloro-2-methylphenyl)pentanamide?
The IUPAC name of 2-(aminomethyl)-N-(4-chloro-2-methylphenyl)pentanamide (CID 65225535) is 2-(aminomethyl)-N-(4-chloro-2-methylphenyl)pentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(4-chloro-2-methylphenyl)pentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(4-chloro-2-methylphenyl)pentanamide is CCCC(CN)C(=O)Nc1ccc(Cl)cc1C.
What is the InChIKey of 2-(aminomethyl)-N-(4-chloro-2-methylphenyl)pentanamide?
The InChIKey is SYSOCBPUICSLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-3-4-10(8-15)13(17)16-12-6-5-11(14)7-9(12)2/h5-7,10H,3-4,8,15H2,1-2H3,(H,16,17).
What are the key properties of 2-(aminomethyl)-N-(4-chloro-2-methylphenyl)pentanamide?
2-(aminomethyl)-N-(4-chloro-2-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-(4-chloro-2-methylphenyl)pentanamide is sourced from PubChem (CID 65225535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).