N-[5-(aminomethyl)-2-methylphenyl]-4-methylpentanamide

C14H22N2O — CID 62104870

IUPACN-[5-(aminomethyl)-2-methylphenyl]-4-methylpentanamide
SMILESCc1ccc(CN)cc1NC(=O)CCC(C)C
InChIInChI=1S/C14H22N2O/c1-10(2)4-7-14(17)16-13-8-12(9-15)6-5-11(13)3/h5-6,8,10H,4,7,9,15H2,1-3H3,(H,16,17)
InChIKeyHNXVGECPIOFQHU-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.83
Rot. Bonds5

About N-[5-(aminomethyl)-2-methylphenyl]-4-methylpentanamide

N-[5-(aminomethyl)-2-methylphenyl]-4-methylpentanamide (PubChem CID 62104870) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[5-(aminomethyl)-2-methylphenyl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[5-(aminomethyl)-2-methylphenyl]-4-methylpentanamide
PubChem CID62104870
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[5-(aminomethyl)-2-methylphenyl]-4-methylpentanamide
SMILESCc1ccc(CN)cc1NC(=O)CCC(C)C
InChIInChI=1S/C14H22N2O/c1-10(2)4-7-14(17)16-13-8-12(9-15)6-5-11(13)3/h5-6,8,10H,4,7,9,15H2,1-3H3,(H,16,17)
InChIKeyHNXVGECPIOFQHU-UHFFFAOYSA-N
XLogP2.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5-(aminomethyl)-2-methylphenyl]hexanamide
CID 62104488
5-amino-N-(2,5-dimethylphenyl)-4-methylpentanamide
CID 82683861
N-(2,5-dimethylphenyl)-3-(3-methylbutylamino)propanamide
CID 109032011
N-(5-amino-2-methylphenyl)-3-[methyl(2-methylpropyl)amino]propanamide
CID 43271733
N-(2,4-dimethylphenyl)-4-methylpentanamide
CID 78775203
4-amino-N-(2,5-dimethylphenyl)pentanamide;hydrochloride
CID 120558604
1-[5-(aminomethyl)-2-methylphenyl]-3-propylurea
CID 62104342
N-[5-(aminomethyl)-2-methylphenyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66475489
N-[5-(aminomethyl)-2-methylphenyl]-2,4,6-trimethylbenzamide
CID 62103226
N-(3-amino-4-methylphenyl)-4-methylpentanamide
CID 28776905
N-[5-(aminomethyl)-2-methylphenyl]-2-methoxy-2-methylpropanamide
CID 103017435
N-[5-(aminomethyl)-2-methylphenyl]-4-ethylbenzamide
CID 62103960

Frequently Asked Questions

What is the IUPAC name of N-[5-(aminomethyl)-2-methylphenyl]-4-methylpentanamide?
The IUPAC name of N-[5-(aminomethyl)-2-methylphenyl]-4-methylpentanamide (CID 62104870) is N-[5-(aminomethyl)-2-methylphenyl]-4-methylpentanamide.
What is the SMILES notation for N-[5-(aminomethyl)-2-methylphenyl]-4-methylpentanamide?
The canonical SMILES for N-[5-(aminomethyl)-2-methylphenyl]-4-methylpentanamide is Cc1ccc(CN)cc1NC(=O)CCC(C)C.
What is the InChIKey of N-[5-(aminomethyl)-2-methylphenyl]-4-methylpentanamide?
The InChIKey is HNXVGECPIOFQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10(2)4-7-14(17)16-13-8-12(9-15)6-5-11(13)3/h5-6,8,10H,4,7,9,15H2,1-3H3,(H,16,17).
What are the key properties of N-[5-(aminomethyl)-2-methylphenyl]-4-methylpentanamide?
N-[5-(aminomethyl)-2-methylphenyl]-4-methylpentanamide has a molecular weight of 234.34 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(aminomethyl)-2-methylphenyl]-4-methylpentanamide is sourced from PubChem (CID 62104870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).