[3-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]methanamine

C15H14F3NO — CID 156612409

IUPAC[3-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]methanamine
SMILESCOc1cccc(-c2cc(CN)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C15H14F3NO/c1-20-14-4-2-3-11(8-14)12-5-10(9-19)6-13(7-12)15(16,17)18/h2-8H,9,19H2,1H3
InChIKeyIBPROGRAQXSONE-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.84
Rot. Bonds3

About [3-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]methanamine

[3-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]methanamine (PubChem CID 156612409) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is [3-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]methanamine
PubChem CID156612409
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name[3-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]methanamine
SMILESCOc1cccc(-c2cc(CN)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C15H14F3NO/c1-20-14-4-2-3-11(8-14)12-5-10(9-19)6-13(7-12)15(16,17)18/h2-8H,9,19H2,1H3
InChIKeyIBPROGRAQXSONE-UHFFFAOYSA-N
XLogP3.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)phenyl]methanamine
CID 156612410
[3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]methanamine
CID 129154957
[4-(3-methoxyphenyl)phenyl]methanamine;hydrochloride
CID 71432523
1-methoxy-3-[4-(trifluoromethyl)phenyl]benzene
CID 14468002
[3-methyl-5-[3-(trifluoromethyl)phenyl]phenyl]methanamine;hydrochloride
CID 166611051
[3-(4-methylphenyl)-5-(trifluoromethyl)phenyl]methanamine
CID 156612413
[3-(trifluoromethoxy)-5-[3-(trifluoromethoxy)phenyl]phenyl]methanamine
CID 171365458
[3-(4-phenylmethoxyphenyl)-5-(trifluoromethyl)phenyl]methanamine
CID 156612416
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[3-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]ethanone
CID 123538489
3-[3-[3-[3-(3-aminopropyl)phenyl]-5-(trifluoromethyl)phenyl]phenyl]propan-1-amine
CID 71678762

Frequently Asked Questions

What is the IUPAC name of [3-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [3-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]methanamine (CID 156612409) is [3-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [3-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [3-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]methanamine is COc1cccc(-c2cc(CN)cc(C(F)(F)F)c2)c1.
What is the InChIKey of [3-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]methanamine?
The InChIKey is IBPROGRAQXSONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c1-20-14-4-2-3-11(8-14)12-5-10(9-19)6-13(7-12)15(16,17)18/h2-8H,9,19H2,1H3.
What are the key properties of [3-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]methanamine?
[3-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]methanamine has a molecular weight of 281.28 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 156612409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).