4-bromo-2-chloro-N-(2,4,4-trimethylcyclopentyl)aniline

C14H19BrClN — CID 106661766

IUPAC4-bromo-2-chloro-N-(2,4,4-trimethylcyclopentyl)aniline
SMILESCC1CC(C)(C)CC1Nc1ccc(Br)cc1Cl
InChIInChI=1S/C14H19BrClN/c1-9-7-14(2,3)8-13(9)17-12-5-4-10(15)6-11(12)16/h4-6,9,13,17H,7-8H2,1-3H3
InChIKeyOMNNVFSXNYFKIL-UHFFFAOYSA-N
MW316.67 g/mol
LogP5.34
Rot. Bonds2

About 4-bromo-2-chloro-N-(2,4,4-trimethylcyclopentyl)aniline

4-bromo-2-chloro-N-(2,4,4-trimethylcyclopentyl)aniline (PubChem CID 106661766) has the molecular formula C14H19BrClN and a molecular weight of 316.67 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(2,4,4-trimethylcyclopentyl)aniline.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(2,4,4-trimethylcyclopentyl)aniline
PubChem CID106661766
Molecular FormulaC14H19BrClN
Molecular Weight316.67 g/mol
Exact Mass315.04
IUPAC Name4-bromo-2-chloro-N-(2,4,4-trimethylcyclopentyl)aniline
SMILESCC1CC(C)(C)CC1Nc1ccc(Br)cc1Cl
InChIInChI=1S/C14H19BrClN/c1-9-7-14(2,3)8-13(9)17-12-5-4-10(15)6-11(12)16/h4-6,9,13,17H,7-8H2,1-3H3
InChIKeyOMNNVFSXNYFKIL-UHFFFAOYSA-N
XLogP5.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.67
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-4-[(2,4,4-trimethylcyclopentyl)amino]benzonitrile
CID 114003389
2-chloro-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106661600
4-bromo-2-chloro-N-(2,3-dimethylcyclohexyl)aniline
CID 64761795
N-(4-bromo-2-chlorophenyl)-3,3-dimethylpiperidin-4-amine
CID 114235355
2-(4-bromo-2-chloroanilino)cyclopentane-1-carbonitrile
CID 62743205
2,3,5-trifluoro-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106662479
4-bromo-2-chloro-N-(4-propan-2-ylcyclohexyl)aniline
CID 63423041
6-chloro-N-(2,4,4-trimethylcyclohexyl)-2,3-dihydro-1,4-benzodioxin-7-amine
CID 81303298
2-(difluoromethylsulfanyl)-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106661548
6-chloro-N-(2,4,4-trimethylcyclopentyl)pyridin-2-amine
CID 106662703
5-bromo-2-[(2-methylcyclopropyl)amino]benzenecarbothioamide
CID 114891701
4-bromo-2-chloro-N-methylsulfanylaniline
CID 143994558

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(2,4,4-trimethylcyclopentyl)aniline?
The IUPAC name of 4-bromo-2-chloro-N-(2,4,4-trimethylcyclopentyl)aniline (CID 106661766) is 4-bromo-2-chloro-N-(2,4,4-trimethylcyclopentyl)aniline.
What is the SMILES notation for 4-bromo-2-chloro-N-(2,4,4-trimethylcyclopentyl)aniline?
The canonical SMILES for 4-bromo-2-chloro-N-(2,4,4-trimethylcyclopentyl)aniline is CC1CC(C)(C)CC1Nc1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-(2,4,4-trimethylcyclopentyl)aniline?
The InChIKey is OMNNVFSXNYFKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClN/c1-9-7-14(2,3)8-13(9)17-12-5-4-10(15)6-11(12)16/h4-6,9,13,17H,7-8H2,1-3H3.
What are the key properties of 4-bromo-2-chloro-N-(2,4,4-trimethylcyclopentyl)aniline?
4-bromo-2-chloro-N-(2,4,4-trimethylcyclopentyl)aniline has a molecular weight of 316.67 g/mol, XLogP of 5.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-(2,4,4-trimethylcyclopentyl)aniline is sourced from PubChem (CID 106661766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).