1-(4-bromo-3-chloro-2-fluorophenyl)-2-(3,4-dimethylphenyl)ethanamine

C16H16BrClFN — CID 106762466

IUPAC1-(4-bromo-3-chloro-2-fluorophenyl)-2-(3,4-dimethylphenyl)ethanamine
SMILESCc1ccc(CC(N)c2ccc(Br)c(Cl)c2F)cc1C
InChIInChI=1S/C16H16BrClFN/c1-9-3-4-11(7-10(9)2)8-14(20)12-5-6-13(17)15(18)16(12)19/h3-7,14H,8,20H2,1-2H3
InChIKeyJESVBWQQQJABSK-UHFFFAOYSA-N
MW356.67 g/mol
LogP5.10
Rot. Bonds3

About 1-(4-bromo-3-chloro-2-fluorophenyl)-2-(3,4-dimethylphenyl)ethanamine

1-(4-bromo-3-chloro-2-fluorophenyl)-2-(3,4-dimethylphenyl)ethanamine (PubChem CID 106762466) has the molecular formula C16H16BrClFN and a molecular weight of 356.67 g/mol. Its IUPAC name is 1-(4-bromo-3-chloro-2-fluorophenyl)-2-(3,4-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-3-chloro-2-fluorophenyl)-2-(3,4-dimethylphenyl)ethanamine
PubChem CID106762466
Molecular FormulaC16H16BrClFN
Molecular Weight356.67 g/mol
Exact Mass355.01
IUPAC Name1-(4-bromo-3-chloro-2-fluorophenyl)-2-(3,4-dimethylphenyl)ethanamine
SMILESCc1ccc(CC(N)c2ccc(Br)c(Cl)c2F)cc1C
InChIInChI=1S/C16H16BrClFN/c1-9-3-4-11(7-10(9)2)8-14(20)12-5-6-13(17)15(18)16(12)19/h3-7,14H,8,20H2,1-2H3
InChIKeyJESVBWQQQJABSK-UHFFFAOYSA-N
XLogP5.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.67
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1-(4-bromo-3-chloro-2-fluorophenyl)-2-(3,4-dimethylphenyl)ethanamine 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

1-(2-bromo-4-fluorophenyl)-2-(3,4-dimethylphenyl)ethanamine
CID 62539465
1-(2,5-dibromo-4-methylphenyl)-2-(3,4-dimethylphenyl)ethanamine
CID 81473930
1-(4-bromo-3-chloro-2-fluorophenyl)-2-(2,6-difluorophenyl)ethanamine
CID 106764407
1-(2-bromo-5-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanamine
CID 62538802
1-(4-bromo-3-chloro-2-fluorophenyl)-4-phenylbutan-1-amine
CID 106764641
(4-bromo-3-chloro-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 106764463
1-bromo-2-chloro-3-[1-chloro-2-(3,4-dimethylphenyl)ethyl]benzene
CID 113403141
1-(5-bromo-2-methylphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
CID 107891666
1-(2,3-difluoro-4-methylphenyl)-2-(3,5-dimethylphenyl)ethanamine
CID 107513293
2-(3-bromo-4-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 81279482
2-(3-bromo-4-fluorophenyl)-1-(2,5-dimethylphenyl)ethanamine
CID 115818512
2-(4-bromophenyl)-1-(2-chloro-4-fluoro-5-methylphenyl)ethanamine
CID 81045980

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chloro-2-fluorophenyl)-2-(3,4-dimethylphenyl)ethanamine?
The IUPAC name of 1-(4-bromo-3-chloro-2-fluorophenyl)-2-(3,4-dimethylphenyl)ethanamine (CID 106762466) is 1-(4-bromo-3-chloro-2-fluorophenyl)-2-(3,4-dimethylphenyl)ethanamine.
What is the SMILES notation for 1-(4-bromo-3-chloro-2-fluorophenyl)-2-(3,4-dimethylphenyl)ethanamine?
The canonical SMILES for 1-(4-bromo-3-chloro-2-fluorophenyl)-2-(3,4-dimethylphenyl)ethanamine is Cc1ccc(CC(N)c2ccc(Br)c(Cl)c2F)cc1C.
What is the InChIKey of 1-(4-bromo-3-chloro-2-fluorophenyl)-2-(3,4-dimethylphenyl)ethanamine?
The InChIKey is JESVBWQQQJABSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClFN/c1-9-3-4-11(7-10(9)2)8-14(20)12-5-6-13(17)15(18)16(12)19/h3-7,14H,8,20H2,1-2H3.
What are the key properties of 1-(4-bromo-3-chloro-2-fluorophenyl)-2-(3,4-dimethylphenyl)ethanamine?
1-(4-bromo-3-chloro-2-fluorophenyl)-2-(3,4-dimethylphenyl)ethanamine has a molecular weight of 356.67 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chloro-2-fluorophenyl)-2-(3,4-dimethylphenyl)ethanamine is sourced from PubChem (CID 106762466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).