1-(aminomethyl)-N-(4-bromo-2-methylphenyl)cyclopentane-1-carboxamide

C14H19BrN2O — CID 81484278

IUPAC1-(aminomethyl)-N-(4-bromo-2-methylphenyl)cyclopentane-1-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)C1(CN)CCCC1
InChIInChI=1S/C14H19BrN2O/c1-10-8-11(15)4-5-12(10)17-13(18)14(9-16)6-2-3-7-14/h4-5,8H,2-3,6-7,9,16H2,1H3,(H,17,18)
InChIKeyJYJIBCQVXQEFHH-UHFFFAOYSA-N
MW311.22 g/mol
LogP3.22
Rot. Bonds3

About 1-(aminomethyl)-N-(4-bromo-2-methylphenyl)cyclopentane-1-carboxamide

1-(aminomethyl)-N-(4-bromo-2-methylphenyl)cyclopentane-1-carboxamide (PubChem CID 81484278) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(4-bromo-2-methylphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(4-bromo-2-methylphenyl)cyclopentane-1-carboxamide
PubChem CID81484278
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name1-(aminomethyl)-N-(4-bromo-2-methylphenyl)cyclopentane-1-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)C1(CN)CCCC1
InChIInChI=1S/C14H19BrN2O/c1-10-8-11(15)4-5-12(10)17-13(18)14(9-16)6-2-3-7-14/h4-5,8H,2-3,6-7,9,16H2,1H3,(H,17,18)
InChIKeyJYJIBCQVXQEFHH-UHFFFAOYSA-N
XLogP3.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-(2,4-dibromophenyl)cycloheptane-1-carboxamide
CID 115443809
1-amino-N-(4-bromo-2-methylphenyl)cyclohexane-1-carboxamide
CID 24696673
1-(aminomethyl)-N-(4-methoxy-2-methylphenyl)cyclohexane-1-carboxamide
CID 62870974
2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-4-bromobenzoic acid
CID 115435155
1-(aminomethyl)-N-(5-bromo-2-methoxyphenyl)cycloheptane-1-carboxamide
CID 115444052
1-(aminomethyl)-N-(5-bromo-4-fluoro-2-methylphenyl)cycloheptane-1-carboxamide
CID 107592153
1-(aminomethyl)-N-(4-bromo-2-cyanophenyl)cyclobutane-1-carboxamide
CID 82708785
1-amino-N-(4-bromo-2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119682529
1-(aminomethyl)-N-(2-bromo-5-methylphenyl)cyclobutane-1-carboxamide
CID 82756642
N-(4-bromo-2-methylphenyl)-1-cyanocyclopentane-1-carboxamide
CID 51224336
1-(aminomethyl)-N-(4-bromophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670345
1-(aminomethyl)-N-(5-bromo-2-cyanophenyl)cyclobutane-1-carboxamide
CID 107798245

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(4-bromo-2-methylphenyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(4-bromo-2-methylphenyl)cyclopentane-1-carboxamide (CID 81484278) is 1-(aminomethyl)-N-(4-bromo-2-methylphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(4-bromo-2-methylphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(4-bromo-2-methylphenyl)cyclopentane-1-carboxamide is Cc1cc(Br)ccc1NC(=O)C1(CN)CCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(4-bromo-2-methylphenyl)cyclopentane-1-carboxamide?
The InChIKey is JYJIBCQVXQEFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-10-8-11(15)4-5-12(10)17-13(18)14(9-16)6-2-3-7-14/h4-5,8H,2-3,6-7,9,16H2,1H3,(H,17,18).
What are the key properties of 1-(aminomethyl)-N-(4-bromo-2-methylphenyl)cyclopentane-1-carboxamide?
1-(aminomethyl)-N-(4-bromo-2-methylphenyl)cyclopentane-1-carboxamide has a molecular weight of 311.22 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(4-bromo-2-methylphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 81484278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).