3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylcyclopentan-1-amine

C20H19F6NO — CID 75024257

IUPAC3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylcyclopentan-1-amine
SMILESNC1CCC(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1c1ccccc1
InChIInChI=1S/C20H19F6NO/c21-19(22,23)14-8-12(9-15(10-14)20(24,25)26)11-28-17-7-6-16(27)18(17)13-4-2-1-3-5-13/h1-5,8-10,16-18H,6-7,11,27H2
InChIKeyTZYWVNRQPJYYMS-UHFFFAOYSA-N
MW403.37 g/mol
LogP5.51
Rot. Bonds4

About 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylcyclopentan-1-amine

3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylcyclopentan-1-amine (PubChem CID 75024257) has the molecular formula C20H19F6NO and a molecular weight of 403.37 g/mol. Its IUPAC name is 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylcyclopentan-1-amine.

Molecular Properties

Compound Name3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylcyclopentan-1-amine
PubChem CID75024257
Molecular FormulaC20H19F6NO
Molecular Weight403.37 g/mol
Exact Mass403.14
IUPAC Name3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylcyclopentan-1-amine
SMILESNC1CCC(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1c1ccccc1
InChIInChI=1S/C20H19F6NO/c21-19(22,23)14-8-12(9-15(10-14)20(24,25)26)11-28-17-7-6-16(27)18(17)13-4-2-1-3-5-13/h1-5,8-10,16-18H,6-7,11,27H2
InChIKeyTZYWVNRQPJYYMS-UHFFFAOYSA-N
XLogP5.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.37
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylcyclopentan-1-amine?
The IUPAC name of 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylcyclopentan-1-amine (CID 75024257) is 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylcyclopentan-1-amine.
What is the SMILES notation for 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylcyclopentan-1-amine?
The canonical SMILES for 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylcyclopentan-1-amine is NC1CCC(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1c1ccccc1.
What is the InChIKey of 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylcyclopentan-1-amine?
The InChIKey is TZYWVNRQPJYYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F6NO/c21-19(22,23)14-8-12(9-15(10-14)20(24,25)26)11-28-17-7-6-16(27)18(17)13-4-2-1-3-5-13/h1-5,8-10,16-18H,6-7,11,27H2.
What are the key properties of 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylcyclopentan-1-amine?
3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylcyclopentan-1-amine has a molecular weight of 403.37 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylcyclopentan-1-amine is sourced from PubChem (CID 75024257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).