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

C16H24BrN — CID 107447762

IUPAC4-bromo-2-methyl-N-(3-propan-2-ylcyclohexyl)aniline
SMILESCc1cc(Br)ccc1NC1CCCC(C(C)C)C1
InChIInChI=1S/C16H24BrN/c1-11(2)13-5-4-6-15(10-13)18-16-8-7-14(17)9-12(16)3/h7-9,11,13,15,18H,4-6,10H2,1-3H3
InChIKeyUYVJKKLHBCXDDD-UHFFFAOYSA-N
MW310.28 g/mol
LogP5.38
Rot. Bonds3

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

4-bromo-2-methyl-N-(3-propan-2-ylcyclohexyl)aniline (PubChem CID 107447762) has the molecular formula C16H24BrN and a molecular weight of 310.28 g/mol. Its IUPAC name is 4-bromo-2-methyl-N-(3-propan-2-ylcyclohexyl)aniline.

Molecular Properties

Compound Name4-bromo-2-methyl-N-(3-propan-2-ylcyclohexyl)aniline
PubChem CID107447762
Molecular FormulaC16H24BrN
Molecular Weight310.28 g/mol
Exact Mass309.11
IUPAC Name4-bromo-2-methyl-N-(3-propan-2-ylcyclohexyl)aniline
SMILESCc1cc(Br)ccc1NC1CCCC(C(C)C)C1
InChIInChI=1S/C16H24BrN/c1-11(2)13-5-4-6-15(10-13)18-16-8-7-14(17)9-12(16)3/h7-9,11,13,15,18H,4-6,10H2,1-3H3
InChIKeyUYVJKKLHBCXDDD-UHFFFAOYSA-N
XLogP5.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.28
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-2-methyl-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447847
N-(4-bromo-2-methylphenyl)thian-3-amine
CID 62872313
4-bromo-3,5-dimethyl-N-(3-propan-2-ylcyclohexyl)aniline
CID 107571665
4-bromo-N-(1-cyclopentylethyl)-2-methylaniline
CID 63418980
N-(4-bromo-2-ethylphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 81292475
3,5-dimethyl-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447823
2-(4-bromo-2-methylanilino)cyclopentan-1-ol
CID 60884392
2,3,4-trifluoro-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447775
4-bromo-2-fluoro-N-(4-propan-2-ylcyclohexyl)aniline
CID 63419248
4-bromo-2-chloro-N-(4-propan-2-ylcyclohexyl)aniline
CID 63423041
N-(4-bromo-2-methylphenyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 63419110
2-propan-2-yl-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447773

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-N-(3-propan-2-ylcyclohexyl)aniline?
The IUPAC name of 4-bromo-2-methyl-N-(3-propan-2-ylcyclohexyl)aniline (CID 107447762) is 4-bromo-2-methyl-N-(3-propan-2-ylcyclohexyl)aniline.
What is the SMILES notation for 4-bromo-2-methyl-N-(3-propan-2-ylcyclohexyl)aniline?
The canonical SMILES for 4-bromo-2-methyl-N-(3-propan-2-ylcyclohexyl)aniline is Cc1cc(Br)ccc1NC1CCCC(C(C)C)C1.
What is the InChIKey of 4-bromo-2-methyl-N-(3-propan-2-ylcyclohexyl)aniline?
The InChIKey is UYVJKKLHBCXDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN/c1-11(2)13-5-4-6-15(10-13)18-16-8-7-14(17)9-12(16)3/h7-9,11,13,15,18H,4-6,10H2,1-3H3.
What are the key properties of 4-bromo-2-methyl-N-(3-propan-2-ylcyclohexyl)aniline?
4-bromo-2-methyl-N-(3-propan-2-ylcyclohexyl)aniline has a molecular weight of 310.28 g/mol, XLogP of 5.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-N-(3-propan-2-ylcyclohexyl)aniline is sourced from PubChem (CID 107447762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).