4-bromo-2-chloro-N-(2,3-dimethylcyclohexyl)aniline

C14H19BrClN — CID 64761795

IUPAC4-bromo-2-chloro-N-(2,3-dimethylcyclohexyl)aniline
SMILESCC1CCCC(Nc2ccc(Br)cc2Cl)C1C
InChIInChI=1S/C14H19BrClN/c1-9-4-3-5-13(10(9)2)17-14-7-6-11(15)8-12(14)16/h6-10,13,17H,3-5H2,1-2H3
InChIKeyLYCDZXGLJJBQSR-UHFFFAOYSA-N
MW316.67 g/mol
LogP5.34
Rot. Bonds2

About 4-bromo-2-chloro-N-(2,3-dimethylcyclohexyl)aniline

4-bromo-2-chloro-N-(2,3-dimethylcyclohexyl)aniline (PubChem CID 64761795) has the molecular formula C14H19BrClN and a molecular weight of 316.67 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(2,3-dimethylcyclohexyl)aniline.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(2,3-dimethylcyclohexyl)aniline
PubChem CID64761795
Molecular FormulaC14H19BrClN
Molecular Weight316.67 g/mol
Exact Mass315.04
IUPAC Name4-bromo-2-chloro-N-(2,3-dimethylcyclohexyl)aniline
SMILESCC1CCCC(Nc2ccc(Br)cc2Cl)C1C
InChIInChI=1S/C14H19BrClN/c1-9-4-3-5-13(10(9)2)17-14-7-6-11(15)8-12(14)16/h6-10,13,17H,3-5H2,1-2H3
InChIKeyLYCDZXGLJJBQSR-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

2-chloro-1-N-(2,3-dimethylcyclohexyl)benzene-1,4-diamine
CID 43115465
4-bromo-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-nitroaniline
CID 29030722
2-(4-bromo-2-chloroanilino)cyclopentane-1-carbonitrile
CID 62743205
4-bromo-2-chloro-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106661766
5-bromo-N-(2,3-dimethylcyclohexyl)-2-nitroaniline
CID 65341865
4-chloro-N-(2,3-dimethylcyclohexyl)-2-iodoaniline
CID 107631533
6-bromo-N-(2,3-dimethylcyclohexyl)naphthalen-2-amine
CID 81260243
3-chloro-N-(2,3-dimethylcyclohexyl)-2-fluoroaniline
CID 64774574
3-chloro-1-N-(2,3-dimethylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 64762651
N-(2,3-dimethylcyclohexyl)-2,4,5-trifluoroaniline
CID 64760115
methyl 4-chloro-3-[(2,3-dimethylcyclohexyl)amino]benzoate
CID 64761027
1-N-(2,3-dimethylcyclohexyl)-4-fluorobenzene-1,2-diamine
CID 43115458

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(2,3-dimethylcyclohexyl)aniline?
The IUPAC name of 4-bromo-2-chloro-N-(2,3-dimethylcyclohexyl)aniline (CID 64761795) is 4-bromo-2-chloro-N-(2,3-dimethylcyclohexyl)aniline.
What is the SMILES notation for 4-bromo-2-chloro-N-(2,3-dimethylcyclohexyl)aniline?
The canonical SMILES for 4-bromo-2-chloro-N-(2,3-dimethylcyclohexyl)aniline is CC1CCCC(Nc2ccc(Br)cc2Cl)C1C.
What is the InChIKey of 4-bromo-2-chloro-N-(2,3-dimethylcyclohexyl)aniline?
The InChIKey is LYCDZXGLJJBQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClN/c1-9-4-3-5-13(10(9)2)17-14-7-6-11(15)8-12(14)16/h6-10,13,17H,3-5H2,1-2H3.
What are the key properties of 4-bromo-2-chloro-N-(2,3-dimethylcyclohexyl)aniline?
4-bromo-2-chloro-N-(2,3-dimethylcyclohexyl)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-(2,3-dimethylcyclohexyl)aniline is sourced from PubChem (CID 64761795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).