(3-chloro-4-methylphenyl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanamine

C15H12ClF4N — CID 107560543

IUPAC(3-chloro-4-methylphenyl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanamine
SMILESCc1ccc(C(N)c2cccc(C(F)(F)F)c2F)cc1Cl
InChIInChI=1S/C15H12ClF4N/c1-8-5-6-9(7-12(8)16)14(21)10-3-2-4-11(13(10)17)15(18,19)20/h2-7,14H,21H2,1H3
InChIKeyRWPSLCSAVKDCQY-UHFFFAOYSA-N
MW317.71 g/mol
LogP4.85
Rot. Bonds2

About (3-chloro-4-methylphenyl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanamine

(3-chloro-4-methylphenyl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanamine (PubChem CID 107560543) has the molecular formula C15H12ClF4N and a molecular weight of 317.71 g/mol. Its IUPAC name is (3-chloro-4-methylphenyl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(3-chloro-4-methylphenyl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanamine
PubChem CID107560543
Molecular FormulaC15H12ClF4N
Molecular Weight317.71 g/mol
Exact Mass317.06
IUPAC Name(3-chloro-4-methylphenyl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanamine
SMILESCc1ccc(C(N)c2cccc(C(F)(F)F)c2F)cc1Cl
InChIInChI=1S/C15H12ClF4N/c1-8-5-6-9(7-12(8)16)14(21)10-3-2-4-11(13(10)17)15(18,19)20/h2-7,14H,21H2,1H3
InChIKeyRWPSLCSAVKDCQY-UHFFFAOYSA-N
XLogP4.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.71
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[4-bromo-2-(trifluoromethyl)phenyl]-(3-chloro-4-methylphenyl)methanamine
CID 107560241
[(3-chloro-4-methylphenyl)-[2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105304823
(3-bromo-4-methylphenyl)-[2-(trifluoromethyl)phenyl]methanamine
CID 115853868
(R)-[2-fluoro-3-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171249000
(3-chloro-2-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanamine
CID 64713791
(2-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 115801247
(S)-[2-fluoro-3-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine
CID 171207818
[[2-fluoro-3-(trifluoromethyl)phenyl]-(4-methylphenyl)methyl]hydrazine
CID 105250323
(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanamine
CID 63504339
(3-chloro-4-methylphenyl)-(3-ethoxyphenyl)methanamine
CID 105022224
(3-chloro-4-methylphenyl)-(2-propoxyphenyl)methanamine
CID 105035816
(1S)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine
CID 171242278

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylphenyl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (3-chloro-4-methylphenyl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanamine (CID 107560543) is (3-chloro-4-methylphenyl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (3-chloro-4-methylphenyl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (3-chloro-4-methylphenyl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanamine is Cc1ccc(C(N)c2cccc(C(F)(F)F)c2F)cc1Cl.
What is the InChIKey of (3-chloro-4-methylphenyl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is RWPSLCSAVKDCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF4N/c1-8-5-6-9(7-12(8)16)14(21)10-3-2-4-11(13(10)17)15(18,19)20/h2-7,14H,21H2,1H3.
What are the key properties of (3-chloro-4-methylphenyl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanamine?
(3-chloro-4-methylphenyl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 317.71 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylphenyl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 107560543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).