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

C16H24BrN — CID 63419168

IUPAC4-bromo-3-methyl-N-(4-propan-2-ylcyclohexyl)aniline
SMILESCc1cc(NC2CCC(C(C)C)CC2)ccc1Br
InChIInChI=1S/C16H24BrN/c1-11(2)13-4-6-14(7-5-13)18-15-8-9-16(17)12(3)10-15/h8-11,13-14,18H,4-7H2,1-3H3
InChIKeyAQGPQHLMAHODFE-UHFFFAOYSA-N
MW310.28 g/mol
LogP5.38
Rot. Bonds3

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

4-bromo-3-methyl-N-(4-propan-2-ylcyclohexyl)aniline (PubChem CID 63419168) has the molecular formula C16H24BrN and a molecular weight of 310.28 g/mol. Its IUPAC name is 4-bromo-3-methyl-N-(4-propan-2-ylcyclohexyl)aniline.

Molecular Properties

Compound Name4-bromo-3-methyl-N-(4-propan-2-ylcyclohexyl)aniline
PubChem CID63419168
Molecular FormulaC16H24BrN
Molecular Weight310.28 g/mol
Exact Mass309.11
IUPAC Name4-bromo-3-methyl-N-(4-propan-2-ylcyclohexyl)aniline
SMILESCc1cc(NC2CCC(C(C)C)CC2)ccc1Br
InChIInChI=1S/C16H24BrN/c1-11(2)13-4-6-14(7-5-13)18-15-8-9-16(17)12(3)10-15/h8-11,13-14,18H,4-7H2,1-3H3
InChIKeyAQGPQHLMAHODFE-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-bromo-3-methoxy-N-(4-propan-2-ylcyclohexyl)aniline
CID 82858349
3-bromo-4-fluoro-N-(4-propan-2-ylcyclohexyl)aniline
CID 113451908
4-bromo-3-nitro-N-(4-propan-2-ylcyclohexyl)aniline
CID 79767678
N-(4-methoxy-3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 65091463
4-bromo-N-(dicyclopropylmethyl)-3-methylaniline
CID 43362754
N-(3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 65087459
1-(2-aminoethyl)-N-(4-bromo-3-methylphenyl)piperidin-4-amine
CID 117027561
N-(3-bromo-4-methylphenyl)thian-4-amine
CID 63333541
4-chloro-N-(4-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline
CID 63423296
4-bromo-N-cyclopropyl-3-fluoroaniline
CID 103439274
N-cyclopropyl-4-fluoro-3-methylaniline
CID 83694970
1-N-ethyl-4-N-(4-propan-2-ylcyclohexyl)benzene-1,4-diamine
CID 163863356

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-N-(4-propan-2-ylcyclohexyl)aniline?
The IUPAC name of 4-bromo-3-methyl-N-(4-propan-2-ylcyclohexyl)aniline (CID 63419168) is 4-bromo-3-methyl-N-(4-propan-2-ylcyclohexyl)aniline.
What is the SMILES notation for 4-bromo-3-methyl-N-(4-propan-2-ylcyclohexyl)aniline?
The canonical SMILES for 4-bromo-3-methyl-N-(4-propan-2-ylcyclohexyl)aniline is Cc1cc(NC2CCC(C(C)C)CC2)ccc1Br.
What is the InChIKey of 4-bromo-3-methyl-N-(4-propan-2-ylcyclohexyl)aniline?
The InChIKey is AQGPQHLMAHODFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN/c1-11(2)13-4-6-14(7-5-13)18-15-8-9-16(17)12(3)10-15/h8-11,13-14,18H,4-7H2,1-3H3.
What are the key properties of 4-bromo-3-methyl-N-(4-propan-2-ylcyclohexyl)aniline?
4-bromo-3-methyl-N-(4-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-3-methyl-N-(4-propan-2-ylcyclohexyl)aniline is sourced from PubChem (CID 63419168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).