2-bromo-3-chloro-N-(4-propan-2-ylcyclohexyl)aniline

C15H21BrClN — CID 103478140

IUPAC2-bromo-3-chloro-N-(4-propan-2-ylcyclohexyl)aniline
SMILESCC(C)C1CCC(Nc2cccc(Cl)c2Br)CC1
InChIInChI=1S/C15H21BrClN/c1-10(2)11-6-8-12(9-7-11)18-14-5-3-4-13(17)15(14)16/h3-5,10-12,18H,6-9H2,1-2H3
InChIKeyPAYFPETVAAWNIV-UHFFFAOYSA-N
MW330.70 g/mol
LogP5.73
Rot. Bonds3

About 2-bromo-3-chloro-N-(4-propan-2-ylcyclohexyl)aniline

2-bromo-3-chloro-N-(4-propan-2-ylcyclohexyl)aniline (PubChem CID 103478140) has the molecular formula C15H21BrClN and a molecular weight of 330.70 g/mol. Its IUPAC name is 2-bromo-3-chloro-N-(4-propan-2-ylcyclohexyl)aniline.

Molecular Properties

Compound Name2-bromo-3-chloro-N-(4-propan-2-ylcyclohexyl)aniline
PubChem CID103478140
Molecular FormulaC15H21BrClN
Molecular Weight330.70 g/mol
Exact Mass329.05
IUPAC Name2-bromo-3-chloro-N-(4-propan-2-ylcyclohexyl)aniline
SMILESCC(C)C1CCC(Nc2cccc(Cl)c2Br)CC1
InChIInChI=1S/C15H21BrClN/c1-10(2)11-6-8-12(9-7-11)18-14-5-3-4-13(17)15(14)16/h3-5,10-12,18H,6-9H2,1-2H3
InChIKeyPAYFPETVAAWNIV-UHFFFAOYSA-N
XLogP5.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.70
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-3-chloro-N-(1-cyclopropylethyl)aniline
CID 103477842
2-bromo-3-chloro-N-(4-phenylcyclohexyl)aniline
CID 103477966
4-bromo-2-chloro-N-(4-propan-2-ylcyclohexyl)aniline
CID 63423041
N-(2-bromo-3-chlorophenyl)-2-methyloxan-4-amine
CID 103478032
2-propan-2-yl-N-(4-propan-2-ylcyclohexyl)aniline
CID 63419203
N-(2-bromo-3-chlorophenyl)oxan-3-amine
CID 103478147
2-bromo-3-chloro-N-propan-2-ylaniline
CID 103478632
4-N-(2-chlorophenyl)-1-N-methylcyclohexane-1,4-diamine
CID 117027455
2-bromo-N-(2-tert-butylcyclohexyl)-3-chloroaniline
CID 103478310
8-chloro-N-(4-propan-2-ylcyclohexyl)quinolin-5-amine
CID 63445839
N-(2-chloro-5-fluorophenyl)-4-propan-2-ylcycloheptan-1-amine
CID 107527132
3-chloro-4-[(4-propan-2-ylcyclohexyl)amino]benzonitrile
CID 107807559

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-chloro-N-(4-propan-2-ylcyclohexyl)aniline?
The IUPAC name of 2-bromo-3-chloro-N-(4-propan-2-ylcyclohexyl)aniline (CID 103478140) is 2-bromo-3-chloro-N-(4-propan-2-ylcyclohexyl)aniline.
What is the SMILES notation for 2-bromo-3-chloro-N-(4-propan-2-ylcyclohexyl)aniline?
The canonical SMILES for 2-bromo-3-chloro-N-(4-propan-2-ylcyclohexyl)aniline is CC(C)C1CCC(Nc2cccc(Cl)c2Br)CC1.
What is the InChIKey of 2-bromo-3-chloro-N-(4-propan-2-ylcyclohexyl)aniline?
The InChIKey is PAYFPETVAAWNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrClN/c1-10(2)11-6-8-12(9-7-11)18-14-5-3-4-13(17)15(14)16/h3-5,10-12,18H,6-9H2,1-2H3.
What are the key properties of 2-bromo-3-chloro-N-(4-propan-2-ylcyclohexyl)aniline?
2-bromo-3-chloro-N-(4-propan-2-ylcyclohexyl)aniline has a molecular weight of 330.70 g/mol, XLogP of 5.73, 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-propan-2-ylcyclohexyl)aniline is sourced from PubChem (CID 103478140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).