1-(4-chloro-2-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine

C16H17ClFN — CID 43480178

IUPAC1-(4-chloro-2-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(C)c(C)c1)c1ccc(Cl)cc1F
InChIInChI=1S/C16H17ClFN/c1-10-4-5-12(8-11(10)2)16(19-3)14-7-6-13(17)9-15(14)18/h4-9,16,19H,1-3H3
InChIKeyUKJJWEJLYNTAQG-UHFFFAOYSA-N
MW277.77 g/mol
LogP4.40
Rot. Bonds3

About 1-(4-chloro-2-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine

1-(4-chloro-2-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine (PubChem CID 43480178) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
PubChem CID43480178
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC Name1-(4-chloro-2-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(C)c(C)c1)c1ccc(Cl)cc1F
InChIInChI=1S/C16H17ClFN/c1-10-4-5-12(8-11(10)2)16(19-3)14-7-6-13(17)9-15(14)18/h4-9,16,19H,1-3H3
InChIKeyUKJJWEJLYNTAQG-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

1-(5-chloro-2-methylphenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 82883588
1-(4-bromo-2-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 43480168
N-[(4-chloro-2-fluorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 43487968
1-(3-chloro-4-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 55182168
1-(4-chloro-2-fluorophenyl)-1-(3-chloro-4-methoxyphenyl)-N-methylmethanamine
CID 43480929
1-(5-chloro-2-methylphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107130085
1-(4-chloro-2-fluorophenyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 63081255
1-(2-fluoro-4-methylphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107130367
1-(4-chloro-2-fluorophenyl)-1-(4-ethylsulfanylphenyl)-N-methylmethanamine
CID 106848824
[(4-chloro-2-fluorophenyl)-(4-chloro-3-methylphenyl)methyl]hydrazine
CID 105328366
1-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
CID 114906262
1-(4-chloro-2-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine
CID 63018999

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine (CID 43480178) is 1-(4-chloro-2-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine is CNC(c1ccc(C)c(C)c1)c1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine?
The InChIKey is UKJJWEJLYNTAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-10-4-5-12(8-11(10)2)16(19-3)14-7-6-13(17)9-15(14)18/h4-9,16,19H,1-3H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine?
1-(4-chloro-2-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine has a molecular weight of 277.77 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 43480178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).