[2-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]phenyl]methanamine

C21H18F3NO — CID 172650045

IUPAC[2-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]phenyl]methanamine
SMILESNCc1cc(-c2ccc(C(F)(F)F)cc2)ccc1OCc1ccccc1
InChIInChI=1S/C21H18F3NO/c22-21(23,24)19-9-6-16(7-10-19)17-8-11-20(18(12-17)13-25)26-14-15-4-2-1-3-5-15/h1-12H,13-14,25H2
InChIKeyDTNDAOLZJPTJLT-UHFFFAOYSA-N
MW357.38 g/mol
LogP5.41
Rot. Bonds5

About [2-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]phenyl]methanamine

[2-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]phenyl]methanamine (PubChem CID 172650045) has the molecular formula C21H18F3NO and a molecular weight of 357.38 g/mol. Its IUPAC name is [2-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]phenyl]methanamine
PubChem CID172650045
Molecular FormulaC21H18F3NO
Molecular Weight357.38 g/mol
Exact Mass357.13
IUPAC Name[2-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]phenyl]methanamine
SMILESNCc1cc(-c2ccc(C(F)(F)F)cc2)ccc1OCc1ccccc1
InChIInChI=1S/C21H18F3NO/c22-21(23,24)19-9-6-16(7-10-19)17-8-11-20(18(12-17)13-25)26-14-15-4-2-1-3-5-15/h1-12H,13-14,25H2
InChIKeyDTNDAOLZJPTJLT-UHFFFAOYSA-N
XLogP5.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.38
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-fluoro-2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
CID 107694821
2-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]benzoic acid
CID 68869462
[2-(trifluoromethoxy)-5-[4-(trifluoromethyl)phenyl]phenyl]methanamine
CID 172649997
[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
CID 43147467
[5-(4-chloro-2-fluorophenyl)-2-phenylmethoxyphenyl]methanamine
CID 172650028
2-phenylmethoxy-4-[4-(trifluoromethyl)phenyl]pyridine
CID 58901931
[3-(4-phenylmethoxyphenyl)-5-(trifluoromethyl)phenyl]methanamine
CID 156612416
[5-(2-fluoro-4-methoxyphenyl)-2-phenylmethoxyphenyl]methanamine
CID 172650029
[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]methanamine
CID 43153637
2-(azidomethyl)-1-phenylmethoxy-4-(trifluoromethyl)benzene
CID 22661941
2-[2-(aminomethyl)-4-(trifluoromethyl)phenoxy]ethanol
CID 43153652
1-phenylmethoxy-4-(trifluoromethyl)benzene;4-(trifluoromethyl)phenol
CID 159669707

Frequently Asked Questions

What is the IUPAC name of [2-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]phenyl]methanamine?
The IUPAC name of [2-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]phenyl]methanamine (CID 172650045) is [2-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]phenyl]methanamine.
What is the SMILES notation for [2-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]phenyl]methanamine?
The canonical SMILES for [2-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]phenyl]methanamine is NCc1cc(-c2ccc(C(F)(F)F)cc2)ccc1OCc1ccccc1.
What is the InChIKey of [2-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]phenyl]methanamine?
The InChIKey is DTNDAOLZJPTJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3NO/c22-21(23,24)19-9-6-16(7-10-19)17-8-11-20(18(12-17)13-25)26-14-15-4-2-1-3-5-15/h1-12H,13-14,25H2.
What are the key properties of [2-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]phenyl]methanamine?
[2-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]phenyl]methanamine has a molecular weight of 357.38 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]phenyl]methanamine is sourced from PubChem (CID 172650045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).