3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-N-cyclopropyl-3-phenylcyclopentan-1-amine

C24H25F6NO — CID 11518191

IUPAC3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-N-cyclopropyl-3-phenylcyclopentan-1-amine
SMILESFC(F)(F)c1cc(COCC2(c3ccccc3)CCC(NC3CC3)C2)cc(C(F)(F)F)c1
InChIInChI=1S/C24H25F6NO/c25-23(26,27)18-10-16(11-19(12-18)24(28,29)30)14-32-15-22(17-4-2-1-3-5-17)9-8-21(13-22)31-20-6-7-20/h1-5,10-12,20-21,31H,6-9,13-15H2
InChIKeySIRLPVNKNQJFET-UHFFFAOYSA-N
MW457.46 g/mol
LogP6.48
Rot. Bonds7

About 3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-N-cyclopropyl-3-phenylcyclopentan-1-amine

3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-N-cyclopropyl-3-phenylcyclopentan-1-amine (PubChem CID 11518191) has the molecular formula C24H25F6NO and a molecular weight of 457.46 g/mol. Its IUPAC name is 3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-N-cyclopropyl-3-phenylcyclopentan-1-amine.

Molecular Properties

Compound Name3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-N-cyclopropyl-3-phenylcyclopentan-1-amine
PubChem CID11518191
Molecular FormulaC24H25F6NO
Molecular Weight457.46 g/mol
Exact Mass457.18
IUPAC Name3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-N-cyclopropyl-3-phenylcyclopentan-1-amine
SMILESFC(F)(F)c1cc(COCC2(c3ccccc3)CCC(NC3CC3)C2)cc(C(F)(F)F)c1
InChIInChI=1S/C24H25F6NO/c25-23(26,27)18-10-16(11-19(12-18)24(28,29)30)14-32-15-22(17-4-2-1-3-5-17)9-8-21(13-22)31-20-6-7-20/h1-5,10-12,20-21,31H,6-9,13-15H2
InChIKeySIRLPVNKNQJFET-UHFFFAOYSA-N
XLogP6.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.46
LogP ≤ 56.48
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]methoxymethyl]-N-cyclopropyl-3-phenylcyclopentan-1-amine?
The IUPAC name of 3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-N-cyclopropyl-3-phenylcyclopentan-1-amine (CID 11518191) is 3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-N-cyclopropyl-3-phenylcyclopentan-1-amine.
What is the SMILES notation for 3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-N-cyclopropyl-3-phenylcyclopentan-1-amine?
The canonical SMILES for 3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-N-cyclopropyl-3-phenylcyclopentan-1-amine is FC(F)(F)c1cc(COCC2(c3ccccc3)CCC(NC3CC3)C2)cc(C(F)(F)F)c1.
What is the InChIKey of 3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-N-cyclopropyl-3-phenylcyclopentan-1-amine?
The InChIKey is SIRLPVNKNQJFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F6NO/c25-23(26,27)18-10-16(11-19(12-18)24(28,29)30)14-32-15-22(17-4-2-1-3-5-17)9-8-21(13-22)31-20-6-7-20/h1-5,10-12,20-21,31H,6-9,13-15H2.
What are the key properties of 3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-N-cyclopropyl-3-phenylcyclopentan-1-amine?
3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-N-cyclopropyl-3-phenylcyclopentan-1-amine has a molecular weight of 457.46 g/mol, XLogP of 6.48, 7 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]methoxymethyl]-N-cyclopropyl-3-phenylcyclopentan-1-amine is sourced from PubChem (CID 11518191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).