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

C15H21BrClN — CID 63423041

IUPAC4-bromo-2-chloro-N-(4-propan-2-ylcyclohexyl)aniline
SMILESCC(C)C1CCC(Nc2ccc(Br)cc2Cl)CC1
InChIInChI=1S/C15H21BrClN/c1-10(2)11-3-6-13(7-4-11)18-15-8-5-12(16)9-14(15)17/h5,8-11,13,18H,3-4,6-7H2,1-2H3
InChIKeyFXGYSFBYFLLKKQ-UHFFFAOYSA-N
MW330.70 g/mol
LogP5.73
Rot. Bonds3

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

4-bromo-2-chloro-N-(4-propan-2-ylcyclohexyl)aniline (PubChem CID 63423041) has the molecular formula C15H21BrClN and a molecular weight of 330.70 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(4-propan-2-ylcyclohexyl)aniline.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(4-propan-2-ylcyclohexyl)aniline
PubChem CID63423041
Molecular FormulaC15H21BrClN
Molecular Weight330.70 g/mol
Exact Mass329.05
IUPAC Name4-bromo-2-chloro-N-(4-propan-2-ylcyclohexyl)aniline
SMILESCC(C)C1CCC(Nc2ccc(Br)cc2Cl)CC1
InChIInChI=1S/C15H21BrClN/c1-10(2)11-3-6-13(7-4-11)18-15-8-5-12(16)9-14(15)17/h5,8-11,13,18H,3-4,6-7H2,1-2H3
InChIKeyFXGYSFBYFLLKKQ-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

4-bromo-2-fluoro-N-(4-propan-2-ylcyclohexyl)aniline
CID 63419248
3-chloro-4-[(4-propan-2-ylcyclohexyl)amino]benzonitrile
CID 107807559
N-(4-bromo-2-chlorophenyl)-1-propan-2-ylazepan-4-amine
CID 65074191
N-(4-bromo-2-ethylphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 81292475
4-bromo-2-chloro-N-[4-(2-methylbutan-2-yl)cyclohexyl]aniline
CID 63423181
2-bromo-3-chloro-N-(4-propan-2-ylcyclohexyl)aniline
CID 103478140
4-bromo-2-methyl-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447762
N-(4-bromo-2-chlorophenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43774950
N-(2-chloro-5-fluorophenyl)-4-propan-2-ylcycloheptan-1-amine
CID 107527132
N-(4-chloro-2-iodophenyl)-4-propan-2-ylcycloheptan-1-amine
CID 107631697
4-bromo-2-chloro-N-propan-2-ylaniline
CID 43236856
4-N-(5-bromo-2-chlorophenyl)cyclohexane-1,4-diamine
CID 79741139

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(4-propan-2-ylcyclohexyl)aniline?
The IUPAC name of 4-bromo-2-chloro-N-(4-propan-2-ylcyclohexyl)aniline (CID 63423041) is 4-bromo-2-chloro-N-(4-propan-2-ylcyclohexyl)aniline.
What is the SMILES notation for 4-bromo-2-chloro-N-(4-propan-2-ylcyclohexyl)aniline?
The canonical SMILES for 4-bromo-2-chloro-N-(4-propan-2-ylcyclohexyl)aniline is CC(C)C1CCC(Nc2ccc(Br)cc2Cl)CC1.
What is the InChIKey of 4-bromo-2-chloro-N-(4-propan-2-ylcyclohexyl)aniline?
The InChIKey is FXGYSFBYFLLKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrClN/c1-10(2)11-3-6-13(7-4-11)18-15-8-5-12(16)9-14(15)17/h5,8-11,13,18H,3-4,6-7H2,1-2H3.
What are the key properties of 4-bromo-2-chloro-N-(4-propan-2-ylcyclohexyl)aniline?
4-bromo-2-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 4-bromo-2-chloro-N-(4-propan-2-ylcyclohexyl)aniline is sourced from PubChem (CID 63423041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).