1-(3-bromo-4-fluorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine

C15H14BrClFN — CID 63457147

IUPAC1-(3-bromo-4-fluorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
SMILESCN(Cc1ccc(F)c(Br)c1)Cc1ccccc1Cl
InChIInChI=1S/C15H14BrClFN/c1-19(10-12-4-2-3-5-14(12)17)9-11-6-7-15(18)13(16)8-11/h2-8H,9-10H2,1H3
InChIKeyJSTZGSVAVNLQLW-UHFFFAOYSA-N
MW342.64 g/mol
LogP4.87
Rot. Bonds4

About 1-(3-bromo-4-fluorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine

1-(3-bromo-4-fluorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine (PubChem CID 63457147) has the molecular formula C15H14BrClFN and a molecular weight of 342.64 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
PubChem CID63457147
Molecular FormulaC15H14BrClFN
Molecular Weight342.64 g/mol
Exact Mass341.00
IUPAC Name1-(3-bromo-4-fluorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
SMILESCN(Cc1ccc(F)c(Br)c1)Cc1ccccc1Cl
InChIInChI=1S/C15H14BrClFN/c1-19(10-12-4-2-3-5-14(12)17)9-11-6-7-15(18)13(16)8-11/h2-8H,9-10H2,1H3
InChIKeyJSTZGSVAVNLQLW-UHFFFAOYSA-N
XLogP4.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.64
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(3-bromo-4-fluorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine 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

[(5-Bromo-2-chlorophenyl)methyl](methyl)amine
CID 43378980
N-[(4-bromo-2-chlorophenyl)methyl]-N-methylprop-2-yn-1-amine
CID 155549462
N'-[(5-bromo-2-chlorophenyl)methyl]-N'-ethylethane-1,2-diamine
CID 103102225
2-[(5-Bromo-2-chlorophenyl)methyl-methylamino]acetonitrile
CID 72016700
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylcyclohexanamine
CID 22200451
N,N-bis[(2-chloro-6-fluorophenyl)methyl]ethanamine
CID 23286751
1-(4-Bromo-2-chloro-5-fluorobenzyl)pyrrolidine
CID 67278730
3-(5-Bromo-2-chlorophenyl)-1-ethyl-4-fluoropiperidine
CID 69592735
1-Bromo-3-[(2-chlorophenyl)-nitrosomethyl]-2-fluorobenzene
CID 123401712
N-benzyl-N-[(2-chloro-6-fluorophenyl)methyl]ethanamine
CID 141306546
6-Bromo-4-chloro-2-[(4-fluorophenyl)methyl]-1,3-dihydroisoindole
CID 150171538
5-bromo-1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2H-pyridine
CID 150852808

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine (CID 63457147) is 1-(3-bromo-4-fluorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine is CN(Cc1ccc(F)c(Br)c1)Cc1ccccc1Cl.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine?
The InChIKey is JSTZGSVAVNLQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFN/c1-19(10-12-4-2-3-5-14(12)17)9-11-6-7-15(18)13(16)8-11/h2-8H,9-10H2,1H3.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine?
1-(3-bromo-4-fluorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine has a molecular weight of 342.64 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine is sourced from PubChem (CID 63457147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).