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

C14H10Cl2F3NO — CID 43528649

IUPAC[4-(2,4-dichlorophenoxy)-2-(trifluoromethyl)phenyl]methanamine
SMILESNCc1ccc(Oc2ccc(Cl)cc2Cl)cc1C(F)(F)F
InChIInChI=1S/C14H10Cl2F3NO/c15-9-2-4-13(12(16)5-9)21-10-3-1-8(7-20)11(6-10)14(17,18)19/h1-6H,7,20H2
InChIKeyXTEKTXHCBSUXDP-UHFFFAOYSA-N
MW336.14 g/mol
LogP5.26
Rot. Bonds3

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

[4-(2,4-dichlorophenoxy)-2-(trifluoromethyl)phenyl]methanamine (PubChem CID 43528649) has the molecular formula C14H10Cl2F3NO and a molecular weight of 336.14 g/mol. Its IUPAC name is [4-(2,4-dichlorophenoxy)-2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(2,4-dichlorophenoxy)-2-(trifluoromethyl)phenyl]methanamine
PubChem CID43528649
Molecular FormulaC14H10Cl2F3NO
Molecular Weight336.14 g/mol
Exact Mass335.01
IUPAC Name[4-(2,4-dichlorophenoxy)-2-(trifluoromethyl)phenyl]methanamine
SMILESNCc1ccc(Oc2ccc(Cl)cc2Cl)cc1C(F)(F)F
InChIInChI=1S/C14H10Cl2F3NO/c15-9-2-4-13(12(16)5-9)21-10-3-1-8(7-20)11(6-10)14(17,18)19/h1-6H,7,20H2
InChIKeyXTEKTXHCBSUXDP-UHFFFAOYSA-N
XLogP5.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.14
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(4-fluorophenoxy)-2-(trifluoromethyl)phenyl]methanamine
CID 43138655
[5-chloro-2-(3,4-difluorophenoxy)phenyl]methanamine
CID 62493344
[3-[4-fluoro-3-(trifluoromethyl)phenoxy]-4-pyridinyl]methanamine
CID 102746859
[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 58104277
[3-chloro-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]methanol
CID 145108431
O-[2-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 117111465
4-(2,5-dichlorophenoxy)-2-(trifluoromethyl)benzonitrile
CID 43320716
[2-(4-chlorophenoxy)-5-methylphenyl]methanamine
CID 107926488
3-[4-chloro-3-(trifluoromethyl)phenoxy]propan-1-amine
CID 83409125
2-[4-chloro-3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride
CID 168679987
[4-(2,4-dichlorophenoxy)-3-fluorophenyl]methanamine
CID 28966222
[4-octoxy-2-(trifluoromethyl)phenyl]methanamine
CID 43320906

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-dichlorophenoxy)-2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [4-(2,4-dichlorophenoxy)-2-(trifluoromethyl)phenyl]methanamine (CID 43528649) is [4-(2,4-dichlorophenoxy)-2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [4-(2,4-dichlorophenoxy)-2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [4-(2,4-dichlorophenoxy)-2-(trifluoromethyl)phenyl]methanamine is NCc1ccc(Oc2ccc(Cl)cc2Cl)cc1C(F)(F)F.
What is the InChIKey of [4-(2,4-dichlorophenoxy)-2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is XTEKTXHCBSUXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F3NO/c15-9-2-4-13(12(16)5-9)21-10-3-1-8(7-20)11(6-10)14(17,18)19/h1-6H,7,20H2.
What are the key properties of [4-(2,4-dichlorophenoxy)-2-(trifluoromethyl)phenyl]methanamine?
[4-(2,4-dichlorophenoxy)-2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 336.14 g/mol, XLogP of 5.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-dichlorophenoxy)-2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 43528649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).