[3-(4-phenylmethoxyphenyl)-5-(trifluoromethyl)phenyl]methanamine

C21H18F3NO — CID 156612416

IUPAC[3-(4-phenylmethoxyphenyl)-5-(trifluoromethyl)phenyl]methanamine
SMILESNCc1cc(-c2ccc(OCc3ccccc3)cc2)cc(C(F)(F)F)c1
InChIInChI=1S/C21H18F3NO/c22-21(23,24)19-11-16(13-25)10-18(12-19)17-6-8-20(9-7-17)26-14-15-4-2-1-3-5-15/h1-12H,13-14,25H2
InChIKeyMYFQBQBVSPNPEI-UHFFFAOYSA-N
MW357.38 g/mol
LogP5.41
Rot. Bonds5

About [3-(4-phenylmethoxyphenyl)-5-(trifluoromethyl)phenyl]methanamine

[3-(4-phenylmethoxyphenyl)-5-(trifluoromethyl)phenyl]methanamine (PubChem CID 156612416) has the molecular formula C21H18F3NO and a molecular weight of 357.38 g/mol. Its IUPAC name is [3-(4-phenylmethoxyphenyl)-5-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(4-phenylmethoxyphenyl)-5-(trifluoromethyl)phenyl]methanamine
PubChem CID156612416
Molecular FormulaC21H18F3NO
Molecular Weight357.38 g/mol
Exact Mass357.13
IUPAC Name[3-(4-phenylmethoxyphenyl)-5-(trifluoromethyl)phenyl]methanamine
SMILESNCc1cc(-c2ccc(OCc3ccccc3)cc2)cc(C(F)(F)F)c1
InChIInChI=1S/C21H18F3NO/c22-21(23,24)19-11-16(13-25)10-18(12-19)17-6-8-20(9-7-17)26-14-15-4-2-1-3-5-15/h1-12H,13-14,25H2
InChIKeyMYFQBQBVSPNPEI-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

1-phenylmethoxy-4-(trifluoromethyl)benzene;4-(trifluoromethyl)phenol
CID 159669707
[2-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]phenyl]methanamine
CID 172650045
[3-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)phenyl]methanamine
CID 156612410
[3-methyl-5-[3-(phenoxymethyl)phenyl]phenyl]methanamine
CID 141438033
[3-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]methanamine
CID 156612409
[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanamine
CID 101273679
N-(4-phenylmethoxyphenyl)-4-(trifluoromethyl)aniline
CID 23393373
[4-(4-phenylmethoxyphenoxy)phenyl]methanamine
CID 139985270
ethyl 2-[3-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]phenyl]acetate
CID 24771790
1-tert-butyl-4-[[4-[4-(trifluoromethyl)phenyl]phenoxy]methyl]benzene
CID 69208043
3-fluoro-5-(4-phenylmethoxyphenyl)phenol
CID 53219757
3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]propan-1-amine;hydrochloride
CID 139814631

Frequently Asked Questions

What is the IUPAC name of [3-(4-phenylmethoxyphenyl)-5-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [3-(4-phenylmethoxyphenyl)-5-(trifluoromethyl)phenyl]methanamine (CID 156612416) is [3-(4-phenylmethoxyphenyl)-5-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [3-(4-phenylmethoxyphenyl)-5-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [3-(4-phenylmethoxyphenyl)-5-(trifluoromethyl)phenyl]methanamine is NCc1cc(-c2ccc(OCc3ccccc3)cc2)cc(C(F)(F)F)c1.
What is the InChIKey of [3-(4-phenylmethoxyphenyl)-5-(trifluoromethyl)phenyl]methanamine?
The InChIKey is MYFQBQBVSPNPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3NO/c22-21(23,24)19-11-16(13-25)10-18(12-19)17-6-8-20(9-7-17)26-14-15-4-2-1-3-5-15/h1-12H,13-14,25H2.
What are the key properties of [3-(4-phenylmethoxyphenyl)-5-(trifluoromethyl)phenyl]methanamine?
[3-(4-phenylmethoxyphenyl)-5-(trifluoromethyl)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 [3-(4-phenylmethoxyphenyl)-5-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 156612416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).