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

C14H12ClF2N — CID 107996089

IUPAC(4-chloro-3-fluorophenyl)-(3-fluoro-4-methylphenyl)methanamine
SMILESCc1ccc(C(N)c2ccc(Cl)c(F)c2)cc1F
InChIInChI=1S/C14H12ClF2N/c1-8-2-3-9(6-12(8)16)14(18)10-4-5-11(15)13(17)7-10/h2-7,14H,18H2,1H3
InChIKeyMQBGVAUHOFWKQW-UHFFFAOYSA-N
MW267.71 g/mol
LogP3.97
Rot. Bonds2

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

(4-chloro-3-fluorophenyl)-(3-fluoro-4-methylphenyl)methanamine (PubChem CID 107996089) has the molecular formula C14H12ClF2N and a molecular weight of 267.71 g/mol. Its IUPAC name is (4-chloro-3-fluorophenyl)-(3-fluoro-4-methylphenyl)methanamine.

Molecular Properties

Compound Name(4-chloro-3-fluorophenyl)-(3-fluoro-4-methylphenyl)methanamine
PubChem CID107996089
Molecular FormulaC14H12ClF2N
Molecular Weight267.71 g/mol
Exact Mass267.06
IUPAC Name(4-chloro-3-fluorophenyl)-(3-fluoro-4-methylphenyl)methanamine
SMILESCc1ccc(C(N)c2ccc(Cl)c(F)c2)cc1F
InChIInChI=1S/C14H12ClF2N/c1-8-2-3-9(6-12(8)16)14(18)10-4-5-11(15)13(17)7-10/h2-7,14H,18H2,1H3
InChIKeyMQBGVAUHOFWKQW-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

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Related Compounds

(4-chloro-3-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 114025071
(2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-3-fluorophenyl)methanamine
CID 107998851
(2-chloro-5-fluorophenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 105394677
(4-chloro-3-fluorophenyl)-(3,4-dichlorophenyl)methanamine
CID 107991698
(4-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine
CID 114025088
(4-chloro-3-fluorophenyl)-(3-fluoro-5-methylphenyl)methanamine
CID 107994515
(2-chloro-4,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 115483749
N-[1-(4-chloro-3-fluorophenyl)ethyl]-1-(3-fluoro-4-methylphenyl)ethanamine
CID 83057829
(4-chloro-3-fluorophenyl)-(2-chlorophenyl)methanamine
CID 114024968
(4-chloro-3-fluorophenyl)-(3,4-dimethoxyphenyl)methanamine
CID 107992884
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-fluoro-4-methylphenyl)methanamine
CID 114646818
(3-fluoro-4-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 43109404

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-fluorophenyl)-(3-fluoro-4-methylphenyl)methanamine?
The IUPAC name of (4-chloro-3-fluorophenyl)-(3-fluoro-4-methylphenyl)methanamine (CID 107996089) is (4-chloro-3-fluorophenyl)-(3-fluoro-4-methylphenyl)methanamine.
What is the SMILES notation for (4-chloro-3-fluorophenyl)-(3-fluoro-4-methylphenyl)methanamine?
The canonical SMILES for (4-chloro-3-fluorophenyl)-(3-fluoro-4-methylphenyl)methanamine is Cc1ccc(C(N)c2ccc(Cl)c(F)c2)cc1F.
What is the InChIKey of (4-chloro-3-fluorophenyl)-(3-fluoro-4-methylphenyl)methanamine?
The InChIKey is MQBGVAUHOFWKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2N/c1-8-2-3-9(6-12(8)16)14(18)10-4-5-11(15)13(17)7-10/h2-7,14H,18H2,1H3.
What are the key properties of (4-chloro-3-fluorophenyl)-(3-fluoro-4-methylphenyl)methanamine?
(4-chloro-3-fluorophenyl)-(3-fluoro-4-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)-(3-fluoro-4-methylphenyl)methanamine is sourced from PubChem (CID 107996089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).