[4-[4-(trifluoromethyl)phenoxy]phenyl]methanamine

C14H12F3NO — CID 3809622

IUPAC[4-[4-(trifluoromethyl)phenoxy]phenyl]methanamine
SMILESNCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C14H12F3NO/c15-14(16,17)11-3-7-13(8-4-11)19-12-5-1-10(9-18)2-6-12/h1-8H,9,18H2
InChIKeyDUHMLJKTANYHCZ-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.96
Rot. Bonds3

About [4-[4-(trifluoromethyl)phenoxy]phenyl]methanamine

[4-[4-(trifluoromethyl)phenoxy]phenyl]methanamine (PubChem CID 3809622) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is [4-[4-(trifluoromethyl)phenoxy]phenyl]methanamine.

Molecular Properties

Compound Name[4-[4-(trifluoromethyl)phenoxy]phenyl]methanamine
PubChem CID3809622
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC Name[4-[4-(trifluoromethyl)phenoxy]phenyl]methanamine
SMILESNCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C14H12F3NO/c15-14(16,17)11-3-7-13(8-4-11)19-12-5-1-10(9-18)2-6-12/h1-8H,9,18H2
InChIKeyDUHMLJKTANYHCZ-UHFFFAOYSA-N
XLogP3.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 58104277
2-[4-[4-(trifluoromethyl)phenoxy]phenyl]acetamide
CID 23353620
[4-(4-fluorophenoxy)phenyl]methanamine;hydrochloride
CID 10308088
[2-deuterio-4-(trifluoromethyl)phenyl]methanamine
CID 175728554
[3-[3-(trifluoromethyl)phenoxy]phenyl]methanamine;hydrochloride
CID 133056705
[4-(trifluoromethylperoxy)phenyl]methanamine
CID 150309144
2-(2,5-dimethoxyphenyl)ethanamine;[4-(trifluoromethyl)phenyl]methanamine
CID 161269698
[4-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]phenyl]methanamine
CID 114450122
1-[4-(aminomethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 116548236
2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethanamine
CID 105348964
[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]methanamine
CID 64586060
[4-bromo-2-[4-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 114900818

Frequently Asked Questions

What is the IUPAC name of [4-[4-(trifluoromethyl)phenoxy]phenyl]methanamine?
The IUPAC name of [4-[4-(trifluoromethyl)phenoxy]phenyl]methanamine (CID 3809622) is [4-[4-(trifluoromethyl)phenoxy]phenyl]methanamine.
What is the SMILES notation for [4-[4-(trifluoromethyl)phenoxy]phenyl]methanamine?
The canonical SMILES for [4-[4-(trifluoromethyl)phenoxy]phenyl]methanamine is NCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of [4-[4-(trifluoromethyl)phenoxy]phenyl]methanamine?
The InChIKey is DUHMLJKTANYHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c15-14(16,17)11-3-7-13(8-4-11)19-12-5-1-10(9-18)2-6-12/h1-8H,9,18H2.
What are the key properties of [4-[4-(trifluoromethyl)phenoxy]phenyl]methanamine?
[4-[4-(trifluoromethyl)phenoxy]phenyl]methanamine has a molecular weight of 267.25 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(trifluoromethyl)phenoxy]phenyl]methanamine is sourced from PubChem (CID 3809622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).