2-(4-bromo-2-methylanilino)cyclopentane-1-carbonitrile

C13H15BrN2 — CID 62742205

IUPAC2-(4-bromo-2-methylanilino)cyclopentane-1-carbonitrile
SMILESCc1cc(Br)ccc1NC1CCCC1C#N
InChIInChI=1S/C13H15BrN2/c1-9-7-11(14)5-6-12(9)16-13-4-2-3-10(13)8-15/h5-7,10,13,16H,2-4H2,1H3
InChIKeyKVYPIXZIYROZKS-UHFFFAOYSA-N
MW279.18 g/mol
LogP3.86
Rot. Bonds2

About 2-(4-bromo-2-methylanilino)cyclopentane-1-carbonitrile

2-(4-bromo-2-methylanilino)cyclopentane-1-carbonitrile (PubChem CID 62742205) has the molecular formula C13H15BrN2 and a molecular weight of 279.18 g/mol. Its IUPAC name is 2-(4-bromo-2-methylanilino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-(4-bromo-2-methylanilino)cyclopentane-1-carbonitrile
PubChem CID62742205
Molecular FormulaC13H15BrN2
Molecular Weight279.18 g/mol
Exact Mass278.04
IUPAC Name2-(4-bromo-2-methylanilino)cyclopentane-1-carbonitrile
SMILESCc1cc(Br)ccc1NC1CCCC1C#N
InChIInChI=1S/C13H15BrN2/c1-9-7-11(14)5-6-12(9)16-13-4-2-3-10(13)8-15/h5-7,10,13,16H,2-4H2,1H3
InChIKeyKVYPIXZIYROZKS-UHFFFAOYSA-N
XLogP3.86
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-chloroanilino)cyclopentane-1-carbonitrile
CID 62743205
2-(4-bromo-2-methylanilino)cyclopentan-1-ol
CID 60884392
2-(4-chloro-2-methylanilino)cycloheptane-1-carbonitrile
CID 114255856
trans-(1R,2S)-2-(4-bromo-2-nitroanilino)cyclopentane-1-carbonitrile
CID 96525958
2-(2-methylanilino)cycloheptane-1-carbonitrile
CID 62743701
2-(2,5-difluoro-4-methylanilino)cyclopentane-1-carbonitrile
CID 103585701
2-(2-fluoro-4-methylanilino)cyclohexane-1-carbonitrile
CID 62743322
2-(2,5-difluoro-4-methylanilino)cyclohexane-1-carbonitrile
CID 103585556
4-bromo-2-methyl-N-(2-phenylcyclohexyl)aniline
CID 43758826
2-(4-bromo-2,6-difluoroanilino)cyclopentane-1-carbonitrile
CID 65467072
2-(2-bromo-3-chloroanilino)cyclopentane-1-carbonitrile
CID 103479056
2-(4-fluoro-2-iodoanilino)cyclopentane-1-carbonitrile
CID 79769592

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylanilino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-(4-bromo-2-methylanilino)cyclopentane-1-carbonitrile (CID 62742205) is 2-(4-bromo-2-methylanilino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-(4-bromo-2-methylanilino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-(4-bromo-2-methylanilino)cyclopentane-1-carbonitrile is Cc1cc(Br)ccc1NC1CCCC1C#N.
What is the InChIKey of 2-(4-bromo-2-methylanilino)cyclopentane-1-carbonitrile?
The InChIKey is KVYPIXZIYROZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2/c1-9-7-11(14)5-6-12(9)16-13-4-2-3-10(13)8-15/h5-7,10,13,16H,2-4H2,1H3.
What are the key properties of 2-(4-bromo-2-methylanilino)cyclopentane-1-carbonitrile?
2-(4-bromo-2-methylanilino)cyclopentane-1-carbonitrile has a molecular weight of 279.18 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylanilino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 62742205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).