N-[(4-bromo-2-chlorophenyl)methyl]-3-ethylaniline

C15H15BrClN — CID 113470945

IUPACN-[(4-bromo-2-chlorophenyl)methyl]-3-ethylaniline
SMILESCCc1cccc(NCc2ccc(Br)cc2Cl)c1
InChIInChI=1S/C15H15BrClN/c1-2-11-4-3-5-14(8-11)18-10-12-6-7-13(16)9-15(12)17/h3-9,18H,2,10H2,1H3
InChIKeyMCVUZSCUKIDSKN-UHFFFAOYSA-N
MW324.65 g/mol
LogP5.28
Rot. Bonds4

About N-[(4-bromo-2-chlorophenyl)methyl]-3-ethylaniline

N-[(4-bromo-2-chlorophenyl)methyl]-3-ethylaniline (PubChem CID 113470945) has the molecular formula C15H15BrClN and a molecular weight of 324.65 g/mol. Its IUPAC name is N-[(4-bromo-2-chlorophenyl)methyl]-3-ethylaniline.

Molecular Properties

Compound NameN-[(4-bromo-2-chlorophenyl)methyl]-3-ethylaniline
PubChem CID113470945
Molecular FormulaC15H15BrClN
Molecular Weight324.65 g/mol
Exact Mass323.01
IUPAC NameN-[(4-bromo-2-chlorophenyl)methyl]-3-ethylaniline
SMILESCCc1cccc(NCc2ccc(Br)cc2Cl)c1
InChIInChI=1S/C15H15BrClN/c1-2-11-4-3-5-14(8-11)18-10-12-6-7-13(16)9-15(12)17/h3-9,18H,2,10H2,1H3
InChIKeyMCVUZSCUKIDSKN-UHFFFAOYSA-N
XLogP5.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.65
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(4-bromo-2-chlorophenyl)methyl]-3-ethylaniline 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

N-[(3,4-dichlorophenyl)methyl]-3-ethylaniline
CID 29298509
N-[(3,5-dichlorophenyl)methyl]-3-ethylaniline
CID 60788560
5-[(4-bromo-2-chlorophenyl)methylamino]-2-methylphenol
CID 107699880
4-[(4-bromo-2-chlorophenyl)methylamino]-2,6-dichlorophenol
CID 107678962
N-[(4-bromo-2-chlorophenyl)methyl]-3-fluoro-5-methylaniline
CID 113470978
N-[(4-chloro-2-nitrophenyl)methyl]-3-ethylaniline
CID 62101406
N-[(2-chloro-4-ethylphenyl)methyl]-4-fluoroaniline
CID 123969663
[5-[(4-bromo-2-chlorophenyl)methylamino]-2-ethoxyphenyl]methanol
CID 115744065
N-[(4-bromo-2-chlorophenyl)methyl]-2,3-difluoroaniline
CID 113470955
4-bromo-3-chloro-N-[(2-chloro-4-methylphenyl)methyl]aniline
CID 107619896
N-[(5-bromo-2-fluorophenyl)methyl]-3-(methoxymethyl)aniline
CID 43672063
N-[(4-bromo-2-chlorophenyl)methyl]-4-(2-methoxyethoxy)aniline
CID 115652567

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-chlorophenyl)methyl]-3-ethylaniline?
The IUPAC name of N-[(4-bromo-2-chlorophenyl)methyl]-3-ethylaniline (CID 113470945) is N-[(4-bromo-2-chlorophenyl)methyl]-3-ethylaniline.
What is the SMILES notation for N-[(4-bromo-2-chlorophenyl)methyl]-3-ethylaniline?
The canonical SMILES for N-[(4-bromo-2-chlorophenyl)methyl]-3-ethylaniline is CCc1cccc(NCc2ccc(Br)cc2Cl)c1.
What is the InChIKey of N-[(4-bromo-2-chlorophenyl)methyl]-3-ethylaniline?
The InChIKey is MCVUZSCUKIDSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN/c1-2-11-4-3-5-14(8-11)18-10-12-6-7-13(16)9-15(12)17/h3-9,18H,2,10H2,1H3.
What are the key properties of N-[(4-bromo-2-chlorophenyl)methyl]-3-ethylaniline?
N-[(4-bromo-2-chlorophenyl)methyl]-3-ethylaniline has a molecular weight of 324.65 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-chlorophenyl)methyl]-3-ethylaniline is sourced from PubChem (CID 113470945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).