3-bromo-5-methyl-N-(4-phenylcyclohexyl)aniline

C19H22BrN — CID 107582419

IUPAC3-bromo-5-methyl-N-(4-phenylcyclohexyl)aniline
SMILESCc1cc(Br)cc(NC2CCC(c3ccccc3)CC2)c1
InChIInChI=1S/C19H22BrN/c1-14-11-17(20)13-19(12-14)21-18-9-7-16(8-10-18)15-5-3-2-4-6-15/h2-6,11-13,16,18,21H,7-10H2,1H3
InChIKeyQBLQKNFKRVGQQX-UHFFFAOYSA-N
MW344.30 g/mol
LogP5.90
Rot. Bonds3

About 3-bromo-5-methyl-N-(4-phenylcyclohexyl)aniline

3-bromo-5-methyl-N-(4-phenylcyclohexyl)aniline (PubChem CID 107582419) has the molecular formula C19H22BrN and a molecular weight of 344.30 g/mol. Its IUPAC name is 3-bromo-5-methyl-N-(4-phenylcyclohexyl)aniline.

Molecular Properties

Compound Name3-bromo-5-methyl-N-(4-phenylcyclohexyl)aniline
PubChem CID107582419
Molecular FormulaC19H22BrN
Molecular Weight344.30 g/mol
Exact Mass343.09
IUPAC Name3-bromo-5-methyl-N-(4-phenylcyclohexyl)aniline
SMILESCc1cc(Br)cc(NC2CCC(c3ccccc3)CC2)c1
InChIInChI=1S/C19H22BrN/c1-14-11-17(20)13-19(12-14)21-18-9-7-16(8-10-18)15-5-3-2-4-6-15/h2-6,11-13,16,18,21H,7-10H2,1H3
InChIKeyQBLQKNFKRVGQQX-UHFFFAOYSA-N
XLogP5.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.30
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-N-(4-phenylcyclohexyl)aniline?
The IUPAC name of 3-bromo-5-methyl-N-(4-phenylcyclohexyl)aniline (CID 107582419) is 3-bromo-5-methyl-N-(4-phenylcyclohexyl)aniline.
What is the SMILES notation for 3-bromo-5-methyl-N-(4-phenylcyclohexyl)aniline?
The canonical SMILES for 3-bromo-5-methyl-N-(4-phenylcyclohexyl)aniline is Cc1cc(Br)cc(NC2CCC(c3ccccc3)CC2)c1.
What is the InChIKey of 3-bromo-5-methyl-N-(4-phenylcyclohexyl)aniline?
The InChIKey is QBLQKNFKRVGQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN/c1-14-11-17(20)13-19(12-14)21-18-9-7-16(8-10-18)15-5-3-2-4-6-15/h2-6,11-13,16,18,21H,7-10H2,1H3.
What are the key properties of 3-bromo-5-methyl-N-(4-phenylcyclohexyl)aniline?
3-bromo-5-methyl-N-(4-phenylcyclohexyl)aniline has a molecular weight of 344.30 g/mol, XLogP of 5.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-N-(4-phenylcyclohexyl)aniline is sourced from PubChem (CID 107582419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).