2-bromo-5-chloro-4-methyl-N-(1-phenylpentyl)aniline

C18H21BrClN — CID 104722886

IUPAC2-bromo-5-chloro-4-methyl-N-(1-phenylpentyl)aniline
SMILESCCCCC(Nc1cc(Cl)c(C)cc1Br)c1ccccc1
InChIInChI=1S/C18H21BrClN/c1-3-4-10-17(14-8-6-5-7-9-14)21-18-12-16(20)13(2)11-15(18)19/h5-9,11-12,17,21H,3-4,10H2,1-2H3
InChIKeyMZCSNOLFQUGMOJ-UHFFFAOYSA-N
MW366.73 g/mol
LogP6.75
Rot. Bonds6

About 2-bromo-5-chloro-4-methyl-N-(1-phenylpentyl)aniline

2-bromo-5-chloro-4-methyl-N-(1-phenylpentyl)aniline (PubChem CID 104722886) has the molecular formula C18H21BrClN and a molecular weight of 366.73 g/mol. Its IUPAC name is 2-bromo-5-chloro-4-methyl-N-(1-phenylpentyl)aniline.

Molecular Properties

Compound Name2-bromo-5-chloro-4-methyl-N-(1-phenylpentyl)aniline
PubChem CID104722886
Molecular FormulaC18H21BrClN
Molecular Weight366.73 g/mol
Exact Mass365.05
IUPAC Name2-bromo-5-chloro-4-methyl-N-(1-phenylpentyl)aniline
SMILESCCCCC(Nc1cc(Cl)c(C)cc1Br)c1ccccc1
InChIInChI=1S/C18H21BrClN/c1-3-4-10-17(14-8-6-5-7-9-14)21-18-12-16(20)13(2)11-15(18)19/h5-9,11-12,17,21H,3-4,10H2,1-2H3
InChIKeyMZCSNOLFQUGMOJ-UHFFFAOYSA-N
XLogP6.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.73
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-bromo-5-chloro-4-methyl-N-(1-phenylpentyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dichloro-N-(1-phenylpentyl)aniline
CID 43757186
2-chloro-5-methyl-N-(1-phenylhexyl)aniline
CID 107631201
2,5-dichloro-N-(1-phenylhexyl)aniline
CID 63418391
2-bromo-5-chloro-N-[1-(2-fluorophenyl)propyl]-4-methylaniline
CID 104722764
4-bromo-N-(1-phenylpentyl)aniline
CID 43762744
2-fluoro-N-(1-phenylpentyl)aniline
CID 43763346
2-bromo-N-butan-2-yl-5-chloro-4-methylaniline
CID 104722467
N-(1-phenylpentyl)aniline;hydrochloride
CID 44887283
3-fluoro-2-methyl-N-(1-phenylpentyl)aniline
CID 63453826
2-bromo-5-chloro-N-[1-(3-chlorophenyl)ethyl]-4-methylaniline
CID 104723041
4-chloro-N-(1-phenylhexyl)pyridin-3-amine
CID 83166461
2-N,2-N-dimethyl-1-N-(1-phenylpentyl)benzene-1,2-diamine
CID 43787294

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-4-methyl-N-(1-phenylpentyl)aniline?
The IUPAC name of 2-bromo-5-chloro-4-methyl-N-(1-phenylpentyl)aniline (CID 104722886) is 2-bromo-5-chloro-4-methyl-N-(1-phenylpentyl)aniline.
What is the SMILES notation for 2-bromo-5-chloro-4-methyl-N-(1-phenylpentyl)aniline?
The canonical SMILES for 2-bromo-5-chloro-4-methyl-N-(1-phenylpentyl)aniline is CCCCC(Nc1cc(Cl)c(C)cc1Br)c1ccccc1.
What is the InChIKey of 2-bromo-5-chloro-4-methyl-N-(1-phenylpentyl)aniline?
The InChIKey is MZCSNOLFQUGMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrClN/c1-3-4-10-17(14-8-6-5-7-9-14)21-18-12-16(20)13(2)11-15(18)19/h5-9,11-12,17,21H,3-4,10H2,1-2H3.
What are the key properties of 2-bromo-5-chloro-4-methyl-N-(1-phenylpentyl)aniline?
2-bromo-5-chloro-4-methyl-N-(1-phenylpentyl)aniline has a molecular weight of 366.73 g/mol, XLogP of 6.75, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-4-methyl-N-(1-phenylpentyl)aniline is sourced from PubChem (CID 104722886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).