2-bromo-N-(3-methylcyclopentyl)aniline

C12H16BrN — CID 64501645

IUPAC2-bromo-N-(3-methylcyclopentyl)aniline
SMILESCC1CCC(Nc2ccccc2Br)C1
InChIInChI=1S/C12H16BrN/c1-9-6-7-10(8-9)14-12-5-3-2-4-11(12)13/h2-5,9-10,14H,6-8H2,1H3
InChIKeyGMSOMNKDJMPUBG-UHFFFAOYSA-N
MW254.17 g/mol
LogP4.05
Rot. Bonds2

About 2-bromo-N-(3-methylcyclopentyl)aniline

2-bromo-N-(3-methylcyclopentyl)aniline (PubChem CID 64501645) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is 2-bromo-N-(3-methylcyclopentyl)aniline.

Molecular Properties

Compound Name2-bromo-N-(3-methylcyclopentyl)aniline
PubChem CID64501645
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC Name2-bromo-N-(3-methylcyclopentyl)aniline
SMILESCC1CCC(Nc2ccccc2Br)C1
InChIInChI=1S/C12H16BrN/c1-9-6-7-10(8-9)14-12-5-3-2-4-11(12)13/h2-5,9-10,14H,6-8H2,1H3
InChIKeyGMSOMNKDJMPUBG-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-2-methyl-N-(3-methylcyclopentyl)aniline
CID 107629941
2-bromo-N-(3,4-dimethylcyclohexyl)aniline
CID 64731596
2-methoxy-N-[(1R,3S)-3-methylcyclopentyl]aniline
CID 95376142
N-(3-methylcyclopentyl)-2-(trifluoromethyl)aniline
CID 64501837
2-methyl-N-[(1R,3S)-3-methylcyclopentyl]pyridin-3-amine
CID 97044872
trans-(1S,3S)-N-[(2-bromophenyl)methyl]-3-methylcyclopentan-1-amine
CID 95376467
4-bromo-N-(3-methylcyclopentyl)aniline
CID 64501647
2-(ethoxymethyl)-N-(3-methylcyclopentyl)aniline
CID 64500672
N-(2-bromophenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 53302872
2-bromo-N-[3-(2-bromophenyl)cyclobutyl]aniline
CID 43633521
N-(2-bromophenyl)oxan-4-amine;hydrochloride
CID 146049754
2-bromo-N-(3,3-dimethylcyclopentyl)aniline
CID 80692148

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-methylcyclopentyl)aniline?
The IUPAC name of 2-bromo-N-(3-methylcyclopentyl)aniline (CID 64501645) is 2-bromo-N-(3-methylcyclopentyl)aniline.
What is the SMILES notation for 2-bromo-N-(3-methylcyclopentyl)aniline?
The canonical SMILES for 2-bromo-N-(3-methylcyclopentyl)aniline is CC1CCC(Nc2ccccc2Br)C1.
What is the InChIKey of 2-bromo-N-(3-methylcyclopentyl)aniline?
The InChIKey is GMSOMNKDJMPUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN/c1-9-6-7-10(8-9)14-12-5-3-2-4-11(12)13/h2-5,9-10,14H,6-8H2,1H3.
What are the key properties of 2-bromo-N-(3-methylcyclopentyl)aniline?
2-bromo-N-(3-methylcyclopentyl)aniline has a molecular weight of 254.17 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-methylcyclopentyl)aniline is sourced from PubChem (CID 64501645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).