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

C14H11ClF3N — CID 107513337

IUPAC(4-chloro-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine
SMILESCc1ccc(C(N)c2ccc(Cl)cc2F)c(F)c1F
InChIInChI=1S/C14H11ClF3N/c1-7-2-4-10(13(18)12(7)17)14(19)9-5-3-8(15)6-11(9)16/h2-6,14H,19H2,1H3
InChIKeyRYSVFLXXOCUPNS-UHFFFAOYSA-N
MW285.70 g/mol
LogP4.11
Rot. Bonds2

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

(4-chloro-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine (PubChem CID 107513337) has the molecular formula C14H11ClF3N and a molecular weight of 285.70 g/mol. Its IUPAC name is (4-chloro-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine.

Molecular Properties

Compound Name(4-chloro-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine
PubChem CID107513337
Molecular FormulaC14H11ClF3N
Molecular Weight285.70 g/mol
Exact Mass285.05
IUPAC Name(4-chloro-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine
SMILESCc1ccc(C(N)c2ccc(Cl)cc2F)c(F)c1F
InChIInChI=1S/C14H11ClF3N/c1-7-2-4-10(13(18)12(7)17)14(19)9-5-3-8(15)6-11(9)16/h2-6,14H,19H2,1H3
InChIKeyRYSVFLXXOCUPNS-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

(4-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methanamine
CID 63081418
(4-chloro-2-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103433501
(4-chloro-2-methylphenyl)-(2,4-difluorophenyl)methanamine
CID 114027936
(4-chloro-2-fluorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 43107900
(4-chloro-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine
CID 43626661
(2-bromo-3,4-difluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine
CID 107538714
(3-chloro-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine
CID 107513399
(5-chloro-2-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 82883895
(2,3-difluoro-4-methylphenyl)-(3,5-dimethylphenyl)methanamine
CID 107515958
(4-chloro-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 62865509
(3-bromo-2-fluorophenyl)-(4-chloro-2-methylphenyl)methanamine
CID 114028370
(2,5-dichlorothiophen-3-yl)-(2,3,4-trifluorophenyl)methanamine
CID 79749284

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine?
The IUPAC name of (4-chloro-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine (CID 107513337) is (4-chloro-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine.
What is the SMILES notation for (4-chloro-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine?
The canonical SMILES for (4-chloro-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine is Cc1ccc(C(N)c2ccc(Cl)cc2F)c(F)c1F.
What is the InChIKey of (4-chloro-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine?
The InChIKey is RYSVFLXXOCUPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3N/c1-7-2-4-10(13(18)12(7)17)14(19)9-5-3-8(15)6-11(9)16/h2-6,14H,19H2,1H3.
What are the key properties of (4-chloro-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine?
(4-chloro-2-fluorophenyl)-(2,3-difluoro-4-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 (4-chloro-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine is sourced from PubChem (CID 107513337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).