(2-chloro-4-fluorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanamine

C15H14ClF2N — CID 65299325

IUPAC(2-chloro-4-fluorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanamine
SMILESCc1cc(C(N)c2ccc(F)cc2Cl)cc(C)c1F
InChIInChI=1S/C15H14ClF2N/c1-8-5-10(6-9(2)14(8)18)15(19)12-4-3-11(17)7-13(12)16/h3-7,15H,19H2,1-2H3
InChIKeyBBCNAXZLGMSPMA-UHFFFAOYSA-N
MW281.73 g/mol
LogP4.28
Rot. Bonds2

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

(2-chloro-4-fluorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanamine (PubChem CID 65299325) has the molecular formula C15H14ClF2N and a molecular weight of 281.73 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanamine
PubChem CID65299325
Molecular FormulaC15H14ClF2N
Molecular Weight281.73 g/mol
Exact Mass281.08
IUPAC Name(2-chloro-4-fluorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanamine
SMILESCc1cc(C(N)c2ccc(F)cc2Cl)cc(C)c1F
InChIInChI=1S/C15H14ClF2N/c1-8-5-10(6-9(2)14(8)18)15(19)12-4-3-11(17)7-13(12)16/h3-7,15H,19H2,1-2H3
InChIKeyBBCNAXZLGMSPMA-UHFFFAOYSA-N
XLogP4.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.73
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-chloro-4-fluorophenyl)-(2-chlorophenyl)methanamine
CID 62945856
1-(2-chloro-4-fluorophenyl)ethanamine
CID 18542888
(2-chloro-4-fluorophenyl)-(2,4,6-trifluorophenyl)methanamine
CID 43198689
(2-chloro-4-fluorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43344688
(5-bromo-2-methoxyphenyl)-(2-chloro-4-fluorophenyl)methanamine
CID 43149035
(2-chloro-5-fluorophenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 105394677
(2-chloro-4-fluoro-5-methylphenyl)-(2,4-difluorophenyl)methanamine
CID 81045743
(S)-(2-chloro-4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171241069
2-[bromo-(2-chloro-4-fluorophenyl)methyl]-5-fluoro-1,3-dimethylbenzene
CID 106879876
(2-chlorophenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 62387434
2-(2-chloro-4-fluorophenyl)pentan-3-amine
CID 79308367
(2-bromo-4,5-dimethoxyphenyl)-(2-chloro-4-fluorophenyl)methanamine
CID 43118226

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanamine?
The IUPAC name of (2-chloro-4-fluorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanamine (CID 65299325) is (2-chloro-4-fluorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanamine.
What is the SMILES notation for (2-chloro-4-fluorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanamine?
The canonical SMILES for (2-chloro-4-fluorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanamine is Cc1cc(C(N)c2ccc(F)cc2Cl)cc(C)c1F.
What is the InChIKey of (2-chloro-4-fluorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanamine?
The InChIKey is BBCNAXZLGMSPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2N/c1-8-5-10(6-9(2)14(8)18)15(19)12-4-3-11(17)7-13(12)16/h3-7,15H,19H2,1-2H3.
What are the key properties of (2-chloro-4-fluorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanamine?
(2-chloro-4-fluorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanamine has a molecular weight of 281.73 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanamine is sourced from PubChem (CID 65299325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).