(2-chloro-5-fluorophenyl)-(3-fluoro-4-methylphenyl)methanamine

C14H12ClF2N — CID 105394677

IUPAC(2-chloro-5-fluorophenyl)-(3-fluoro-4-methylphenyl)methanamine
SMILESCc1ccc(C(N)c2cc(F)ccc2Cl)cc1F
InChIInChI=1S/C14H12ClF2N/c1-8-2-3-9(6-13(8)17)14(18)11-7-10(16)4-5-12(11)15/h2-7,14H,18H2,1H3
InChIKeyKWWKYCHEFKBSNZ-UHFFFAOYSA-N
MW267.71 g/mol
LogP3.97
Rot. Bonds2

About (2-chloro-5-fluorophenyl)-(3-fluoro-4-methylphenyl)methanamine

(2-chloro-5-fluorophenyl)-(3-fluoro-4-methylphenyl)methanamine (PubChem CID 105394677) has the molecular formula C14H12ClF2N and a molecular weight of 267.71 g/mol. Its IUPAC name is (2-chloro-5-fluorophenyl)-(3-fluoro-4-methylphenyl)methanamine.

Molecular Properties

Compound Name(2-chloro-5-fluorophenyl)-(3-fluoro-4-methylphenyl)methanamine
PubChem CID105394677
Molecular FormulaC14H12ClF2N
Molecular Weight267.71 g/mol
Exact Mass267.06
IUPAC Name(2-chloro-5-fluorophenyl)-(3-fluoro-4-methylphenyl)methanamine
SMILESCc1ccc(C(N)c2cc(F)ccc2Cl)cc1F
InChIInChI=1S/C14H12ClF2N/c1-8-2-3-9(6-13(8)17)14(18)11-7-10(16)4-5-12(11)15/h2-7,14H,18H2,1H3
InChIKeyKWWKYCHEFKBSNZ-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

(2-chloro-4,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 115483749
(4-chloro-3-fluorophenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 107996089
(2-chloro-5-fluorophenyl)-(4-chlorophenyl)methanamine
CID 105394650
(2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-3-fluorophenyl)methanamine
CID 107998851
(2-chloro-5-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 105397363
(2,5-dichlorophenyl)-(3,4-difluorophenyl)methanamine
CID 43197530
2-(2-chloro-5-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 102618457
(3-chloro-4-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 63047550
(4-chloro-3-methylphenyl)-(2-fluorophenyl)methanamine
CID 115828038
(2-chloro-5-fluorophenyl)-(2,4-difluorophenyl)methanamine
CID 105394907
(3-fluoro-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 62789611
(4-chloro-3-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 114025071

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-fluorophenyl)-(3-fluoro-4-methylphenyl)methanamine?
The IUPAC name of (2-chloro-5-fluorophenyl)-(3-fluoro-4-methylphenyl)methanamine (CID 105394677) is (2-chloro-5-fluorophenyl)-(3-fluoro-4-methylphenyl)methanamine.
What is the SMILES notation for (2-chloro-5-fluorophenyl)-(3-fluoro-4-methylphenyl)methanamine?
The canonical SMILES for (2-chloro-5-fluorophenyl)-(3-fluoro-4-methylphenyl)methanamine is Cc1ccc(C(N)c2cc(F)ccc2Cl)cc1F.
What is the InChIKey of (2-chloro-5-fluorophenyl)-(3-fluoro-4-methylphenyl)methanamine?
The InChIKey is KWWKYCHEFKBSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2N/c1-8-2-3-9(6-13(8)17)14(18)11-7-10(16)4-5-12(11)15/h2-7,14H,18H2,1H3.
What are the key properties of (2-chloro-5-fluorophenyl)-(3-fluoro-4-methylphenyl)methanamine?
(2-chloro-5-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 (2-chloro-5-fluorophenyl)-(3-fluoro-4-methylphenyl)methanamine is sourced from PubChem (CID 105394677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).