2-bromo-5-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline

C19H24BrN — CID 82744754

IUPAC2-bromo-5-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline
SMILESCc1ccc(Br)c(NC(C)CC(C)(C)c2ccccc2)c1
InChIInChI=1S/C19H24BrN/c1-14-10-11-17(20)18(12-14)21-15(2)13-19(3,4)16-8-6-5-7-9-16/h5-12,15,21H,13H2,1-4H3
InChIKeyVVWLILHTEQTZLI-UHFFFAOYSA-N
MW346.31 g/mol
LogP5.93
Rot. Bonds5

About 2-bromo-5-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline

2-bromo-5-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline (PubChem CID 82744754) has the molecular formula C19H24BrN and a molecular weight of 346.31 g/mol. Its IUPAC name is 2-bromo-5-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline.

Molecular Properties

Compound Name2-bromo-5-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline
PubChem CID82744754
Molecular FormulaC19H24BrN
Molecular Weight346.31 g/mol
Exact Mass345.11
IUPAC Name2-bromo-5-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline
SMILESCc1ccc(Br)c(NC(C)CC(C)(C)c2ccccc2)c1
InChIInChI=1S/C19H24BrN/c1-14-10-11-17(20)18(12-14)21-15(2)13-19(3,4)16-8-6-5-7-9-16/h5-12,15,21H,13H2,1-4H3
InChIKeyVVWLILHTEQTZLI-UHFFFAOYSA-N
XLogP5.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.31
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-5-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline
CID 107631333
3-fluoro-2-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline
CID 63455215
2-bromo-5-methyl-N-(2,2,2-trifluoro-1-phenylethyl)aniline
CID 82757456
2-chloro-4-iodo-N-(4-methyl-4-phenylpentan-2-yl)aniline
CID 63445453
(2R)-N,4-dimethyl-4-phenylpentan-2-amine
CID 42077724
4-iodo-N-(4-methyl-4-phenylpentan-2-yl)aniline
CID 43773231
3-iodo-N-(4-methyl-4-phenylpentan-2-yl)aniline
CID 43773347
3-fluoro-4-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline
CID 43764409
2,6-dichloro-N-(4-methyl-4-phenylpentan-2-yl)aniline
CID 65468772
1-(3-methylphenyl)-3-(4-methyl-4-phenylpentan-2-yl)thiourea
CID 133154885
4-chloro-N-(4-methyl-4-phenylpentan-2-yl)pyridin-3-amine
CID 83165583
2-(2-bromo-5-methylanilino)propanoic acid
CID 82761158

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline?
The IUPAC name of 2-bromo-5-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline (CID 82744754) is 2-bromo-5-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline.
What is the SMILES notation for 2-bromo-5-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline?
The canonical SMILES for 2-bromo-5-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline is Cc1ccc(Br)c(NC(C)CC(C)(C)c2ccccc2)c1.
What is the InChIKey of 2-bromo-5-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline?
The InChIKey is VVWLILHTEQTZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN/c1-14-10-11-17(20)18(12-14)21-15(2)13-19(3,4)16-8-6-5-7-9-16/h5-12,15,21H,13H2,1-4H3.
What are the key properties of 2-bromo-5-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline?
2-bromo-5-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline has a molecular weight of 346.31 g/mol, XLogP of 5.93, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline is sourced from PubChem (CID 82744754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).