(3,4-dichlorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine

C14H10Cl2F3NO — CID 116628508

IUPAC(3,4-dichlorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine
SMILESNC(c1ccc(OC(F)(F)F)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H10Cl2F3NO/c15-11-6-3-9(7-12(11)16)13(20)8-1-4-10(5-2-8)21-14(17,18)19/h1-7,13H,20H2
InChIKeyXUTBQBUIEOXARE-UHFFFAOYSA-N
MW336.14 g/mol
LogP4.94
Rot. Bonds3

About (3,4-dichlorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine

(3,4-dichlorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine (PubChem CID 116628508) has the molecular formula C14H10Cl2F3NO and a molecular weight of 336.14 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine
PubChem CID116628508
Molecular FormulaC14H10Cl2F3NO
Molecular Weight336.14 g/mol
Exact Mass335.01
IUPAC Name(3,4-dichlorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine
SMILESNC(c1ccc(OC(F)(F)F)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H10Cl2F3NO/c15-11-6-3-9(7-12(11)16)13(20)8-1-4-10(5-2-8)21-14(17,18)19/h1-7,13H,20H2
InChIKeyXUTBQBUIEOXARE-UHFFFAOYSA-N
XLogP4.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.14
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-[2-chloro-5-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171242871
(3,4-dichlorophenyl)-[4-(difluoromethoxy)phenyl]methanamine
CID 43167241
(R)-pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanamine
CID 171246372
(R)-(4-propan-2-ylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171239714
4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]benzene-1,2-diol
CID 171245554
(R)-(4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171245927
(R)-(2-bromo-4-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171247522
(S)-(2-chloro-4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171241069
(3,4-dichlorophenyl)-(4-fluorophenyl)methanamine
CID 43184820
(S)-[4-(trifluoromethoxy)phenyl]-(4-trimethylsilyloxyphenyl)methanamine
CID 171242116
(R)-(3,4-dimethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171246015
4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2-bromophenol
CID 171247817

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of (3,4-dichlorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine (CID 116628508) is (3,4-dichlorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for (3,4-dichlorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for (3,4-dichlorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine is NC(c1ccc(OC(F)(F)F)cc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (3,4-dichlorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is XUTBQBUIEOXARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F3NO/c15-11-6-3-9(7-12(11)16)13(20)8-1-4-10(5-2-8)21-14(17,18)19/h1-7,13H,20H2.
What are the key properties of (3,4-dichlorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine?
(3,4-dichlorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 336.14 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 116628508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).