2-bromo-N-(2,2-dimethylcyclopentyl)-4-methylaniline

C14H20BrN — CID 79864735

IUPAC2-bromo-N-(2,2-dimethylcyclopentyl)-4-methylaniline
SMILESCc1ccc(NC2CCCC2(C)C)c(Br)c1
InChIInChI=1S/C14H20BrN/c1-10-6-7-12(11(15)9-10)16-13-5-4-8-14(13,2)3/h6-7,9,13,16H,4-5,8H2,1-3H3
InChIKeyNAMRLFJYXXVVPK-UHFFFAOYSA-N
MW282.22 g/mol
LogP4.75
Rot. Bonds2

About 2-bromo-N-(2,2-dimethylcyclopentyl)-4-methylaniline

2-bromo-N-(2,2-dimethylcyclopentyl)-4-methylaniline (PubChem CID 79864735) has the molecular formula C14H20BrN and a molecular weight of 282.22 g/mol. Its IUPAC name is 2-bromo-N-(2,2-dimethylcyclopentyl)-4-methylaniline.

Molecular Properties

Compound Name2-bromo-N-(2,2-dimethylcyclopentyl)-4-methylaniline
PubChem CID79864735
Molecular FormulaC14H20BrN
Molecular Weight282.22 g/mol
Exact Mass281.08
IUPAC Name2-bromo-N-(2,2-dimethylcyclopentyl)-4-methylaniline
SMILESCc1ccc(NC2CCCC2(C)C)c(Br)c1
InChIInChI=1S/C14H20BrN/c1-10-6-7-12(11(15)9-10)16-13-5-4-8-14(13,2)3/h6-7,9,13,16H,4-5,8H2,1-3H3
InChIKeyNAMRLFJYXXVVPK-UHFFFAOYSA-N
XLogP4.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,2-dimethylcyclohexyl)-2,4-dimethylaniline
CID 79829148
N-(2-bromo-4-methylphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104920682
N-(2,2-dimethylcyclopentyl)-4-fluoro-2-methylaniline
CID 79864742
4-chloro-N-(2,2-dimethylcyclopentyl)-2-methylaniline
CID 79864654
N-(2,2-dimethylcyclopentyl)-4-iodo-2-methylaniline
CID 79860481
4-bromo-N-(2,2-dimethylcyclopentyl)-2-ethylaniline
CID 81292278
5-bromo-N-(2,2-dimethylcyclohexyl)-2,4-difluoroaniline
CID 102853156
4-bromo-2-N-(2,2-dimethylcyclopentyl)-5-fluorobenzene-1,2-diamine
CID 116736105
4-N-(2,2-dimethylcyclopentyl)-2-methylbenzene-1,4-diamine
CID 79862138
1-N-(2,2-dimethylcyclohexyl)-2-methylbenzene-1,4-diamine
CID 79861808
4-bromo-2-[(2,2-dimethylcyclopentyl)amino]benzonitrile
CID 114902013
1-(2-bromo-4-methylphenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111473081

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,2-dimethylcyclopentyl)-4-methylaniline?
The IUPAC name of 2-bromo-N-(2,2-dimethylcyclopentyl)-4-methylaniline (CID 79864735) is 2-bromo-N-(2,2-dimethylcyclopentyl)-4-methylaniline.
What is the SMILES notation for 2-bromo-N-(2,2-dimethylcyclopentyl)-4-methylaniline?
The canonical SMILES for 2-bromo-N-(2,2-dimethylcyclopentyl)-4-methylaniline is Cc1ccc(NC2CCCC2(C)C)c(Br)c1.
What is the InChIKey of 2-bromo-N-(2,2-dimethylcyclopentyl)-4-methylaniline?
The InChIKey is NAMRLFJYXXVVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c1-10-6-7-12(11(15)9-10)16-13-5-4-8-14(13,2)3/h6-7,9,13,16H,4-5,8H2,1-3H3.
What are the key properties of 2-bromo-N-(2,2-dimethylcyclopentyl)-4-methylaniline?
2-bromo-N-(2,2-dimethylcyclopentyl)-4-methylaniline has a molecular weight of 282.22 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,2-dimethylcyclopentyl)-4-methylaniline is sourced from PubChem (CID 79864735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).