N-[2-(aminomethyl)cyclopentyl]-3-(3-bromo-4-methoxyphenyl)propanamide

C16H23BrN2O2 — CID 119601994

IUPACN-[2-(aminomethyl)cyclopentyl]-3-(3-bromo-4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NC2CCCC2CN)cc1Br
InChIInChI=1S/C16H23BrN2O2/c1-21-15-7-5-11(9-13(15)17)6-8-16(20)19-14-4-2-3-12(14)10-18/h5,7,9,12,14H,2-4,6,8,10,18H2,1H3,(H,19,20)
InChIKeyIDYVAEQGDRNBAN-UHFFFAOYSA-N
MW355.28 g/mol
LogP2.63
Rot. Bonds6

About N-[2-(aminomethyl)cyclopentyl]-3-(3-bromo-4-methoxyphenyl)propanamide

N-[2-(aminomethyl)cyclopentyl]-3-(3-bromo-4-methoxyphenyl)propanamide (PubChem CID 119601994) has the molecular formula C16H23BrN2O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-3-(3-bromo-4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-3-(3-bromo-4-methoxyphenyl)propanamide
PubChem CID119601994
Molecular FormulaC16H23BrN2O2
Molecular Weight355.28 g/mol
Exact Mass354.09
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-3-(3-bromo-4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NC2CCCC2CN)cc1Br
InChIInChI=1S/C16H23BrN2O2/c1-21-15-7-5-11(9-13(15)17)6-8-16(20)19-14-4-2-3-12(14)10-18/h5,7,9,12,14H,2-4,6,8,10,18H2,1H3,(H,19,20)
InChIKeyIDYVAEQGDRNBAN-UHFFFAOYSA-N
XLogP2.63
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-3-(3,4-dimethoxyphenyl)propanamide;hydrochloride
CID 119612216
3-(3-bromo-4-methoxyphenyl)-N-(4-methylcyclohexyl)propanamide
CID 46567913
N-[2-(aminomethyl)cyclopentyl]-3-(3-methylphenyl)propanamide
CID 62955686
3-(3,4-dimethoxyphenyl)-N-[2-[(dimethylamino)methyl]cyclohexyl]propanamide
CID 110279159
3-(3-bromo-4-methoxyphenyl)-N-methoxypropanamide
CID 38013362
N-[2-(aminomethyl)cyclohexyl]-4-(5-bromo-2-methoxyphenyl)-4-oxobutanamide;hydrochloride
CID 119612214
N-[2-(aminomethyl)cyclohexyl]-2-(3-fluoro-4-methoxyphenyl)acetamide;hydrochloride
CID 119609283
N-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyphenyl)propanamide;hydrochloride
CID 119609653
N-[2-(aminomethyl)cyclopentyl]-3-(2-bromo-4-chlorophenoxy)propanamide
CID 119601445
N-[2-(aminomethyl)cyclohexyl]-3-naphthalen-2-ylpropanamide
CID 119611998
N-[2-(aminomethyl)cyclopentyl]-2-(5-chloro-2-methoxyphenyl)acetamide
CID 119600550
N-[2-(aminomethyl)cyclopentyl]-3-(2-bromo-5-chlorophenyl)propanamide
CID 119602349

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-(3-bromo-4-methoxyphenyl)propanamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-(3-bromo-4-methoxyphenyl)propanamide (CID 119601994) is N-[2-(aminomethyl)cyclopentyl]-3-(3-bromo-4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-3-(3-bromo-4-methoxyphenyl)propanamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-3-(3-bromo-4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)NC2CCCC2CN)cc1Br.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-3-(3-bromo-4-methoxyphenyl)propanamide?
The InChIKey is IDYVAEQGDRNBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2/c1-21-15-7-5-11(9-13(15)17)6-8-16(20)19-14-4-2-3-12(14)10-18/h5,7,9,12,14H,2-4,6,8,10,18H2,1H3,(H,19,20).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-3-(3-bromo-4-methoxyphenyl)propanamide?
N-[2-(aminomethyl)cyclopentyl]-3-(3-bromo-4-methoxyphenyl)propanamide has a molecular weight of 355.28 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-3-(3-bromo-4-methoxyphenyl)propanamide is sourced from PubChem (CID 119601994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).