2-(aminomethyl)-N-(4-bromo-2-ethylphenyl)pentanamide

C14H21BrN2O — CID 81292193

IUPAC2-(aminomethyl)-N-(4-bromo-2-ethylphenyl)pentanamide
SMILESCCCC(CN)C(=O)Nc1ccc(Br)cc1CC
InChIInChI=1S/C14H21BrN2O/c1-3-5-11(9-16)14(18)17-13-7-6-12(15)8-10(13)4-2/h6-8,11H,3-5,9,16H2,1-2H3,(H,17,18)
InChIKeyNGCIIZSMTYYKEK-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.33
Rot. Bonds6

About 2-(aminomethyl)-N-(4-bromo-2-ethylphenyl)pentanamide

2-(aminomethyl)-N-(4-bromo-2-ethylphenyl)pentanamide (PubChem CID 81292193) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(4-bromo-2-ethylphenyl)pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(4-bromo-2-ethylphenyl)pentanamide
PubChem CID81292193
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name2-(aminomethyl)-N-(4-bromo-2-ethylphenyl)pentanamide
SMILESCCCC(CN)C(=O)Nc1ccc(Br)cc1CC
InChIInChI=1S/C14H21BrN2O/c1-3-5-11(9-16)14(18)17-13-7-6-12(15)8-10(13)4-2/h6-8,11H,3-5,9,16H2,1-2H3,(H,17,18)
InChIKeyNGCIIZSMTYYKEK-UHFFFAOYSA-N
XLogP3.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-ethylphenyl)-2-cyanopentanamide
CID 81292095
(2S)-2-amino-N-(4-bromo-2-ethylphenyl)butanamide;hydrochloride
CID 119291319
5-amino-N-(4-bromo-2-ethylphenyl)-4-methylpentanamide
CID 82687831
2-(aminomethyl)-N-(4-hydroxy-2-methylphenyl)pentanamide
CID 65228312
2-amino-N-(4-bromo-2-ethylphenyl)acetamide;hydrochloride
CID 119291314
2-(aminomethyl)-N-(4-chloro-2-methylphenyl)pentanamide
CID 65225535
1-(4-bromo-2-ethylphenyl)-3-propylurea
CID 6467713
N-(4-bromo-2-ethylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119727073
2-[2-(aminomethyl)phenyl]-N-(4-bromo-2-ethylphenyl)acetamide
CID 81313356
N-(5-bromo-2-cyanophenyl)-2-propylpentanamide
CID 107798334
4-[2-(aminomethyl)pentanoylamino]-N-ethyl-3-methylbenzamide
CID 65229718
3-amino-N-(2,4-dibromophenyl)-2-methylpropanamide
CID 62669244

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(4-bromo-2-ethylphenyl)pentanamide?
The IUPAC name of 2-(aminomethyl)-N-(4-bromo-2-ethylphenyl)pentanamide (CID 81292193) is 2-(aminomethyl)-N-(4-bromo-2-ethylphenyl)pentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(4-bromo-2-ethylphenyl)pentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(4-bromo-2-ethylphenyl)pentanamide is CCCC(CN)C(=O)Nc1ccc(Br)cc1CC.
What is the InChIKey of 2-(aminomethyl)-N-(4-bromo-2-ethylphenyl)pentanamide?
The InChIKey is NGCIIZSMTYYKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-3-5-11(9-16)14(18)17-13-7-6-12(15)8-10(13)4-2/h6-8,11H,3-5,9,16H2,1-2H3,(H,17,18).
What are the key properties of 2-(aminomethyl)-N-(4-bromo-2-ethylphenyl)pentanamide?
2-(aminomethyl)-N-(4-bromo-2-ethylphenyl)pentanamide has a molecular weight of 313.24 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(4-bromo-2-ethylphenyl)pentanamide is sourced from PubChem (CID 81292193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).