2-bromo-3-chloro-N-(4-phenylcyclohexyl)aniline

C18H19BrClN — CID 103477966

IUPAC2-bromo-3-chloro-N-(4-phenylcyclohexyl)aniline
SMILESClc1cccc(NC2CCC(c3ccccc3)CC2)c1Br
InChIInChI=1S/C18H19BrClN/c19-18-16(20)7-4-8-17(18)21-15-11-9-14(10-12-15)13-5-2-1-3-6-13/h1-8,14-15,21H,9-12H2
InChIKeySQFJXMNFRLNSJV-UHFFFAOYSA-N
MW364.71 g/mol
LogP6.24
Rot. Bonds3

About 2-bromo-3-chloro-N-(4-phenylcyclohexyl)aniline

2-bromo-3-chloro-N-(4-phenylcyclohexyl)aniline (PubChem CID 103477966) has the molecular formula C18H19BrClN and a molecular weight of 364.71 g/mol. Its IUPAC name is 2-bromo-3-chloro-N-(4-phenylcyclohexyl)aniline.

Molecular Properties

Compound Name2-bromo-3-chloro-N-(4-phenylcyclohexyl)aniline
PubChem CID103477966
Molecular FormulaC18H19BrClN
Molecular Weight364.71 g/mol
Exact Mass363.04
IUPAC Name2-bromo-3-chloro-N-(4-phenylcyclohexyl)aniline
SMILESClc1cccc(NC2CCC(c3ccccc3)CC2)c1Br
InChIInChI=1S/C18H19BrClN/c19-18-16(20)7-4-8-17(18)21-15-11-9-14(10-12-15)13-5-2-1-3-6-13/h1-8,14-15,21H,9-12H2
InChIKeySQFJXMNFRLNSJV-UHFFFAOYSA-N
XLogP6.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.71
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-3-chloro-N-(4-propan-2-ylcyclohexyl)aniline
CID 103478140
2-bromo-3-chloro-N-[3-(3-fluorophenyl)cyclobutyl]aniline
CID 103478342
3-bromo-N-(4-phenylcyclohexyl)aniline
CID 29031587
2-bromo-3-chloro-N-[3-(3-methoxyphenyl)cyclobutyl]aniline
CID 103478343
N-(2-bromo-3-chlorophenyl)oxan-3-amine
CID 103478147
4-bromo-2-methyl-N-(4-phenylcyclohexyl)aniline
CID 29032557
N-(2-bromo-3-chlorophenyl)-2-methyloxan-4-amine
CID 103478032
4-N-(2-chlorophenyl)-1-N-methylcyclohexane-1,4-diamine
CID 117027455
2,5-difluoro-N-(4-phenylcyclohexyl)aniline
CID 29275617
benzene;cyclopropylbenzene
CID 144638417
3-chloro-N-(4-phenylcyclohexyl)-2-propan-2-ylpyridin-4-amine
CID 19694049
N-benzyl-2-bromo-3-chloroaniline
CID 103477865

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-chloro-N-(4-phenylcyclohexyl)aniline?
The IUPAC name of 2-bromo-3-chloro-N-(4-phenylcyclohexyl)aniline (CID 103477966) is 2-bromo-3-chloro-N-(4-phenylcyclohexyl)aniline.
What is the SMILES notation for 2-bromo-3-chloro-N-(4-phenylcyclohexyl)aniline?
The canonical SMILES for 2-bromo-3-chloro-N-(4-phenylcyclohexyl)aniline is Clc1cccc(NC2CCC(c3ccccc3)CC2)c1Br.
What is the InChIKey of 2-bromo-3-chloro-N-(4-phenylcyclohexyl)aniline?
The InChIKey is SQFJXMNFRLNSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrClN/c19-18-16(20)7-4-8-17(18)21-15-11-9-14(10-12-15)13-5-2-1-3-6-13/h1-8,14-15,21H,9-12H2.
What are the key properties of 2-bromo-3-chloro-N-(4-phenylcyclohexyl)aniline?
2-bromo-3-chloro-N-(4-phenylcyclohexyl)aniline has a molecular weight of 364.71 g/mol, XLogP of 6.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-chloro-N-(4-phenylcyclohexyl)aniline is sourced from PubChem (CID 103477966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).