1-phenyl-2-[[2-(trifluoromethyl)phenyl]methoxy]cyclohexan-1-amine

C20H22F3NO — CID 22360936

IUPAC1-phenyl-2-[[2-(trifluoromethyl)phenyl]methoxy]cyclohexan-1-amine
SMILESNC1(c2ccccc2)CCCCC1OCc1ccccc1C(F)(F)F
InChIInChI=1S/C20H22F3NO/c21-20(22,23)17-11-5-4-8-15(17)14-25-18-12-6-7-13-19(18,24)16-9-2-1-3-10-16/h1-5,8-11,18H,6-7,12-14,24H2
InChIKeyUXWBAAHPVUVAHZ-UHFFFAOYSA-N
MW349.40 g/mol
LogP5.02
Rot. Bonds4

About 1-phenyl-2-[[2-(trifluoromethyl)phenyl]methoxy]cyclohexan-1-amine

1-phenyl-2-[[2-(trifluoromethyl)phenyl]methoxy]cyclohexan-1-amine (PubChem CID 22360936) has the molecular formula C20H22F3NO and a molecular weight of 349.40 g/mol. Its IUPAC name is 1-phenyl-2-[[2-(trifluoromethyl)phenyl]methoxy]cyclohexan-1-amine.

Molecular Properties

Compound Name1-phenyl-2-[[2-(trifluoromethyl)phenyl]methoxy]cyclohexan-1-amine
PubChem CID22360936
Molecular FormulaC20H22F3NO
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC Name1-phenyl-2-[[2-(trifluoromethyl)phenyl]methoxy]cyclohexan-1-amine
SMILESNC1(c2ccccc2)CCCCC1OCc1ccccc1C(F)(F)F
InChIInChI=1S/C20H22F3NO/c21-20(22,23)17-11-5-4-8-15(17)14-25-18-12-6-7-13-19(18,24)16-9-2-1-3-10-16/h1-5,8-11,18H,6-7,12-14,24H2
InChIKeyUXWBAAHPVUVAHZ-UHFFFAOYSA-N
XLogP5.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.40
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[[2-(trifluoromethyl)phenyl]methoxy]cyclohexan-1-amine?
The IUPAC name of 1-phenyl-2-[[2-(trifluoromethyl)phenyl]methoxy]cyclohexan-1-amine (CID 22360936) is 1-phenyl-2-[[2-(trifluoromethyl)phenyl]methoxy]cyclohexan-1-amine.
What is the SMILES notation for 1-phenyl-2-[[2-(trifluoromethyl)phenyl]methoxy]cyclohexan-1-amine?
The canonical SMILES for 1-phenyl-2-[[2-(trifluoromethyl)phenyl]methoxy]cyclohexan-1-amine is NC1(c2ccccc2)CCCCC1OCc1ccccc1C(F)(F)F.
What is the InChIKey of 1-phenyl-2-[[2-(trifluoromethyl)phenyl]methoxy]cyclohexan-1-amine?
The InChIKey is UXWBAAHPVUVAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3NO/c21-20(22,23)17-11-5-4-8-15(17)14-25-18-12-6-7-13-19(18,24)16-9-2-1-3-10-16/h1-5,8-11,18H,6-7,12-14,24H2.
What are the key properties of 1-phenyl-2-[[2-(trifluoromethyl)phenyl]methoxy]cyclohexan-1-amine?
1-phenyl-2-[[2-(trifluoromethyl)phenyl]methoxy]cyclohexan-1-amine has a molecular weight of 349.40 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[[2-(trifluoromethyl)phenyl]methoxy]cyclohexan-1-amine is sourced from PubChem (CID 22360936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).