(2,4-dichlorophenyl)-[4-(trifluoromethyl)phenyl]methanamine

C14H10Cl2F3N — CID 61273169

IUPAC(2,4-dichlorophenyl)-[4-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H10Cl2F3N/c15-10-5-6-11(12(16)7-10)13(20)8-1-3-9(4-2-8)14(17,18)19/h1-7,13H,20H2
InChIKeyVDLRIPYTVSEOFS-UHFFFAOYSA-N
MW320.14 g/mol
LogP5.06
Rot. Bonds2

About (2,4-dichlorophenyl)-[4-(trifluoromethyl)phenyl]methanamine

(2,4-dichlorophenyl)-[4-(trifluoromethyl)phenyl]methanamine (PubChem CID 61273169) has the molecular formula C14H10Cl2F3N and a molecular weight of 320.14 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-[4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-[4-(trifluoromethyl)phenyl]methanamine
PubChem CID61273169
Molecular FormulaC14H10Cl2F3N
Molecular Weight320.14 g/mol
Exact Mass319.01
IUPAC Name(2,4-dichlorophenyl)-[4-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H10Cl2F3N/c15-10-5-6-11(12(16)7-10)13(20)8-1-3-9(4-2-8)14(17,18)19/h1-7,13H,20H2
InChIKeyVDLRIPYTVSEOFS-UHFFFAOYSA-N
XLogP5.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.14
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-chloro-4-pyridinyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 105142603
(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanamine
CID 63504339
(3-chloro-4-iodophenyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 103215160
1-[2-chloro-4-[4-(trifluoromethyl)phenyl]phenyl]ethanamine
CID 82783494
(4-tert-butylphenyl)-(2-chloro-4-methylphenyl)methanamine
CID 106857421
(4-bromo-2-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107291877
[4-bromo-2-(trifluoromethyl)phenyl]-(2,4-dichlorophenyl)methanamine
CID 107332709
2-chloro-1-(dichloromethyl)-4-(trifluoromethyl)benzene;1-(dichloromethyl)-4-(trifluoromethyl)benzene
CID 157379718
(4-cyclopropyloxyphenyl)-(2,4-dichlorophenyl)methanamine
CID 105051389
(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 43561305
(1R)-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanamine
CID 129407606
(S)-(2,4-dichlorophenyl)-thiophen-3-ylmethanamine
CID 171232158

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-[4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (2,4-dichlorophenyl)-[4-(trifluoromethyl)phenyl]methanamine (CID 61273169) is (2,4-dichlorophenyl)-[4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (2,4-dichlorophenyl)-[4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (2,4-dichlorophenyl)-[4-(trifluoromethyl)phenyl]methanamine is NC(c1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorophenyl)-[4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is VDLRIPYTVSEOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F3N/c15-10-5-6-11(12(16)7-10)13(20)8-1-3-9(4-2-8)14(17,18)19/h1-7,13H,20H2.
What are the key properties of (2,4-dichlorophenyl)-[4-(trifluoromethyl)phenyl]methanamine?
(2,4-dichlorophenyl)-[4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 320.14 g/mol, XLogP of 5.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-[4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 61273169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).