[3-(2,4-dichlorophenyl)-4-fluorophenyl]methanamine

C13H10Cl2FN — CID 61271772

IUPAC[3-(2,4-dichlorophenyl)-4-fluorophenyl]methanamine
SMILESNCc1ccc(F)c(-c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C13H10Cl2FN/c14-9-2-3-10(12(15)6-9)11-5-8(7-17)1-4-13(11)16/h1-6H,7,17H2
InChIKeyCRHWIRYKBBYOCD-UHFFFAOYSA-N
MW270.13 g/mol
LogP4.26
Rot. Bonds2

About [3-(2,4-dichlorophenyl)-4-fluorophenyl]methanamine

[3-(2,4-dichlorophenyl)-4-fluorophenyl]methanamine (PubChem CID 61271772) has the molecular formula C13H10Cl2FN and a molecular weight of 270.13 g/mol. Its IUPAC name is [3-(2,4-dichlorophenyl)-4-fluorophenyl]methanamine.

Molecular Properties

Compound Name[3-(2,4-dichlorophenyl)-4-fluorophenyl]methanamine
PubChem CID61271772
Molecular FormulaC13H10Cl2FN
Molecular Weight270.13 g/mol
Exact Mass269.02
IUPAC Name[3-(2,4-dichlorophenyl)-4-fluorophenyl]methanamine
SMILESNCc1ccc(F)c(-c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C13H10Cl2FN/c14-9-2-3-10(12(15)6-9)11-5-8(7-17)1-4-13(11)16/h1-6H,7,17H2
InChIKeyCRHWIRYKBBYOCD-UHFFFAOYSA-N
XLogP4.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [3-(2,4-dichlorophenyl)-4-fluorophenyl]methanamine 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

[3-(2,4-dichlorophenyl)-5-fluorophenyl]methanamine
CID 134631440
[3-(2,3-dichlorophenyl)-4-fluorophenyl]methanamine
CID 54912158
[3-chloro-4-(2,4,6-trichlorophenyl)phenyl]methanamine
CID 104729116
N-[[3-(2,4-dichlorophenyl)-4-fluorophenyl]methyl]propan-2-amine
CID 63428074
[4-fluoro-3-(4-fluoro-2-methylphenyl)phenyl]methanamine
CID 54911954
[5-chloro-2-(2,4-dichlorophenyl)phenyl]methanamine
CID 66159336
[3-(3-chloro-5-fluorophenyl)-4-fluorophenyl]methanamine
CID 113324837
[4-(6-chloro-2,3-difluorophenyl)-3-fluorophenyl]methanamine
CID 114275253
[4-(2,4-dichlorophenoxy)-3-fluorophenyl]methanamine
CID 28966222
(3-chloro-4-fluorophenyl)methanamine;methoxymethane
CID 144849872
[3-(3-chloro-4-methoxyphenyl)-4-fluorophenyl]methanamine
CID 54910650
1,2,4-trichloro-5-[5-(chloromethyl)-2-fluorophenyl]benzene
CID 134629936

Frequently Asked Questions

What is the IUPAC name of [3-(2,4-dichlorophenyl)-4-fluorophenyl]methanamine?
The IUPAC name of [3-(2,4-dichlorophenyl)-4-fluorophenyl]methanamine (CID 61271772) is [3-(2,4-dichlorophenyl)-4-fluorophenyl]methanamine.
What is the SMILES notation for [3-(2,4-dichlorophenyl)-4-fluorophenyl]methanamine?
The canonical SMILES for [3-(2,4-dichlorophenyl)-4-fluorophenyl]methanamine is NCc1ccc(F)c(-c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of [3-(2,4-dichlorophenyl)-4-fluorophenyl]methanamine?
The InChIKey is CRHWIRYKBBYOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FN/c14-9-2-3-10(12(15)6-9)11-5-8(7-17)1-4-13(11)16/h1-6H,7,17H2.
What are the key properties of [3-(2,4-dichlorophenyl)-4-fluorophenyl]methanamine?
[3-(2,4-dichlorophenyl)-4-fluorophenyl]methanamine has a molecular weight of 270.13 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,4-dichlorophenyl)-4-fluorophenyl]methanamine is sourced from PubChem (CID 61271772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).