[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine

C15H14F3NO — CID 43147467

IUPAC[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
SMILESNCc1ccccc1OCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H14F3NO/c16-15(17,18)13-6-3-4-11(8-13)10-20-14-7-2-1-5-12(14)9-19/h1-8H,9-10,19H2
InChIKeyQKPGISBEIRTCOK-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.74
Rot. Bonds4

About [2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine

[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine (PubChem CID 43147467) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is [2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
PubChem CID43147467
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
SMILESNCc1ccccc1OCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H14F3NO/c16-15(17,18)13-6-3-4-11(8-13)10-20-14-7-2-1-5-12(14)9-19/h1-8H,9-10,19H2
InChIKeyQKPGISBEIRTCOK-UHFFFAOYSA-N
XLogP3.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-2-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 60627169
[3-fluoro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
CID 115952103
[3-chloro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
CID 61389023
[2-[3-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 19627404
1-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 60627388
2-methyl-6-[[3-(trifluoromethyl)phenyl]methoxy]aniline
CID 43437992
2-methyl-3-[[3-(trifluoromethyl)phenyl]methoxy]aniline
CID 43437803
2-(chloromethyl)-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 63535402
3-[5-chloro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-amine
CID 170867877
[2-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 19627406
[2-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]phenyl]methanamine
CID 172650045
1-[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethanol
CID 43503898

Frequently Asked Questions

What is the IUPAC name of [2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine?
The IUPAC name of [2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine (CID 43147467) is [2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine.
What is the SMILES notation for [2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine?
The canonical SMILES for [2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine is NCc1ccccc1OCc1cccc(C(F)(F)F)c1.
What is the InChIKey of [2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine?
The InChIKey is QKPGISBEIRTCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c16-15(17,18)13-6-3-4-11(8-13)10-20-14-7-2-1-5-12(14)9-19/h1-8H,9-10,19H2.
What are the key properties of [2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine?
[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine has a molecular weight of 281.28 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine is sourced from PubChem (CID 43147467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).