(4-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanamine

C14H11ClF3NO — CID 62790847

IUPAC(4-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanamine
SMILESNC(c1ccc(Cl)cc1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H11ClF3NO/c15-10-7-5-9(6-8-10)13(19)11-3-1-2-4-12(11)20-14(16,17)18/h1-8,13H,19H2
InChIKeyGOISPFRMQDHUCD-UHFFFAOYSA-N
MW301.70 g/mol
LogP4.29
Rot. Bonds3

About (4-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanamine

(4-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanamine (PubChem CID 62790847) has the molecular formula C14H11ClF3NO and a molecular weight of 301.70 g/mol. Its IUPAC name is (4-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name(4-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanamine
PubChem CID62790847
Molecular FormulaC14H11ClF3NO
Molecular Weight301.70 g/mol
Exact Mass301.05
IUPAC Name(4-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanamine
SMILESNC(c1ccc(Cl)cc1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H11ClF3NO/c15-10-7-5-9(6-8-10)13(19)11-3-1-2-4-12(11)20-14(16,17)18/h1-8,13H,19H2
InChIKeyGOISPFRMQDHUCD-UHFFFAOYSA-N
XLogP4.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.70
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chlorofuran-3-yl)-[2-(trifluoromethoxy)phenyl]methanamine
CID 106691908
(S)-(2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239727
2-(4-chlorophenyl)-1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 62790502
(2,5-difluorophenyl)-[2-(trifluoromethoxy)phenyl]methanamine
CID 63672561
(2-iodophenyl)-[2-(trifluoromethoxy)phenyl]methanamine
CID 115850885
(5-bromothiophen-3-yl)-[2-(trifluoromethoxy)phenyl]methanamine
CID 105141567
(R)-(5-chloro-2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171251371
(1S)-2,2,2-trifluoro-1-[2-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 171249788
(4-chlorophenyl)-(2-iodophenyl)methanamine
CID 24707466
(1R)-2,2,2-trifluoro-1-[2-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 171243055
2-[(S)-amino-[4-(trifluoromethoxy)phenyl]methyl]-6-(trifluoromethoxy)phenol;hydrochloride
CID 171255541
(2-chloro-3-fluorophenyl)-(4-chlorophenyl)methanamine
CID 81454943

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of (4-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanamine (CID 62790847) is (4-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for (4-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for (4-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanamine is NC(c1ccc(Cl)cc1)c1ccccc1OC(F)(F)F.
What is the InChIKey of (4-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is GOISPFRMQDHUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3NO/c15-10-7-5-9(6-8-10)13(19)11-3-1-2-4-12(11)20-14(16,17)18/h1-8,13H,19H2.
What are the key properties of (4-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanamine?
(4-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 301.70 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 62790847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).