(3-chloro-4-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine

C14H11ClF3N — CID 82822542

IUPAC(3-chloro-4-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine
SMILESCc1ccc(F)c(C(N)c2ccc(F)c(Cl)c2)c1F
InChIInChI=1S/C14H11ClF3N/c1-7-2-4-11(17)12(13(7)18)14(19)8-3-5-10(16)9(15)6-8/h2-6,14H,19H2,1H3
InChIKeyZBBKKCMWSUCCJE-UHFFFAOYSA-N
MW285.70 g/mol
LogP4.11
Rot. Bonds2

About (3-chloro-4-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine

(3-chloro-4-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine (PubChem CID 82822542) has the molecular formula C14H11ClF3N and a molecular weight of 285.70 g/mol. Its IUPAC name is (3-chloro-4-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine.

Molecular Properties

Compound Name(3-chloro-4-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine
PubChem CID82822542
Molecular FormulaC14H11ClF3N
Molecular Weight285.70 g/mol
Exact Mass285.05
IUPAC Name(3-chloro-4-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine
SMILESCc1ccc(F)c(C(N)c2ccc(F)c(Cl)c2)c1F
InChIInChI=1S/C14H11ClF3N/c1-7-2-4-11(17)12(13(7)18)14(19)8-3-5-10(16)9(15)6-8/h2-6,14H,19H2,1H3
InChIKeyZBBKKCMWSUCCJE-UHFFFAOYSA-N
XLogP4.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.70
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-chlorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine
CID 82822372
[(3-chloro-4-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methyl]hydrazine
CID 105218082
(4-bromo-3-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine
CID 105027240
(2-chloro-6-fluorophenyl)-(3-chloro-4-fluorophenyl)methanamine
CID 114275177
bis(2,6-difluoro-3-methylphenyl)methanamine
CID 105027229
(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 82814367
(2,6-dichlorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine
CID 105027044
(3-chloro-4-fluorophenyl)-(4-methylnaphthalen-1-yl)methanamine
CID 82876904
(2,6-difluoro-3-methylphenyl)-(3,5-dimethoxyphenyl)methanamine
CID 105013679
(4-bromo-2,5-dimethylphenyl)-(3-chloro-4-fluorophenyl)methanamine
CID 82875568
(3-chloro-4-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 63523104
(5-bromo-4-chlorothiophen-2-yl)-(2,6-difluoro-3-methylphenyl)methanamine
CID 82814808

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine?
The IUPAC name of (3-chloro-4-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine (CID 82822542) is (3-chloro-4-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine.
What is the SMILES notation for (3-chloro-4-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine?
The canonical SMILES for (3-chloro-4-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine is Cc1ccc(F)c(C(N)c2ccc(F)c(Cl)c2)c1F.
What is the InChIKey of (3-chloro-4-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine?
The InChIKey is ZBBKKCMWSUCCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3N/c1-7-2-4-11(17)12(13(7)18)14(19)8-3-5-10(16)9(15)6-8/h2-6,14H,19H2,1H3.
What are the key properties of (3-chloro-4-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine?
(3-chloro-4-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine has a molecular weight of 285.70 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine is sourced from PubChem (CID 82822542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).