(4-chloro-3-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine

C14H12ClF2N — CID 114025071

IUPAC(4-chloro-3-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine
SMILESCc1cc(C(N)c2ccc(Cl)c(F)c2)ccc1F
InChIInChI=1S/C14H12ClF2N/c1-8-6-9(3-5-12(8)16)14(18)10-2-4-11(15)13(17)7-10/h2-7,14H,18H2,1H3
InChIKeyNABZMFLQTNBUKP-UHFFFAOYSA-N
MW267.71 g/mol
LogP3.97
Rot. Bonds2

About (4-chloro-3-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine

(4-chloro-3-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine (PubChem CID 114025071) has the molecular formula C14H12ClF2N and a molecular weight of 267.71 g/mol. Its IUPAC name is (4-chloro-3-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine.

Molecular Properties

Compound Name(4-chloro-3-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine
PubChem CID114025071
Molecular FormulaC14H12ClF2N
Molecular Weight267.71 g/mol
Exact Mass267.06
IUPAC Name(4-chloro-3-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine
SMILESCc1cc(C(N)c2ccc(Cl)c(F)c2)ccc1F
InChIInChI=1S/C14H12ClF2N/c1-8-6-9(3-5-12(8)16)14(18)10-2-4-11(15)13(17)7-10/h2-7,14H,18H2,1H3
InChIKeyNABZMFLQTNBUKP-UHFFFAOYSA-N
XLogP3.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4-chloro-3-fluorophenyl)-(4-fluoro-3-methylphenyl)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

(4-chloro-3-fluorophenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 107996089
(4-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine
CID 114025088
(4-fluoro-3-methylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 62789476
(2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-3-fluorophenyl)methanamine
CID 107998851
(4-chloro-3-fluorophenyl)-(3,4-dichlorophenyl)methanamine
CID 107991698
(4-chloro-3-fluorophenyl)-(3-fluoro-5-methylphenyl)methanamine
CID 107994515
1-(4-chloro-3-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 107992985
(3-chloro-4-methoxyphenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 55164032
(5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 79746385
(3-chlorothiophen-2-yl)-(4-fluoro-3-methylphenyl)methanamine
CID 80529677
(4-chloro-3-fluorophenyl)-(2-chlorophenyl)methanamine
CID 114024968
(4-fluoro-3-methylphenyl)-(4-methylsulfanylphenyl)methanamine
CID 79747463

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine?
The IUPAC name of (4-chloro-3-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine (CID 114025071) is (4-chloro-3-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine.
What is the SMILES notation for (4-chloro-3-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine?
The canonical SMILES for (4-chloro-3-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine is Cc1cc(C(N)c2ccc(Cl)c(F)c2)ccc1F.
What is the InChIKey of (4-chloro-3-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine?
The InChIKey is NABZMFLQTNBUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2N/c1-8-6-9(3-5-12(8)16)14(18)10-2-4-11(15)13(17)7-10/h2-7,14H,18H2,1H3.
What are the key properties of (4-chloro-3-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine?
(4-chloro-3-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine has a molecular weight of 267.71 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine is sourced from PubChem (CID 114025071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).