(E)-N-[(R)-cyclopropyl(naphthalen-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine

C24H22F3N — CID 149097689

IUPAC(E)-N-[(R)-cyclopropyl(naphthalen-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine
SMILESFC(F)(F)c1cccc(/C=C/CN[C@@H](c2cccc3ccccc23)C2CC2)c1
InChIInChI=1S/C24H22F3N/c25-24(26,27)20-10-3-6-17(16-20)7-5-15-28-23(19-13-14-19)22-12-4-9-18-8-1-2-11-21(18)22/h1-12,16,19,23,28H,13-15H2/b7-5+/t23-/m1/s1
InChIKeyQTXVXCGOVZGUQX-NKOINVLESA-N
MW381.44 g/mol
LogP6.61
Rot. Bonds6

About (E)-N-[(R)-cyclopropyl(naphthalen-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine

(E)-N-[(R)-cyclopropyl(naphthalen-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine (PubChem CID 149097689) has the molecular formula C24H22F3N and a molecular weight of 381.44 g/mol. Its IUPAC name is (E)-N-[(R)-cyclopropyl(naphthalen-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-[(R)-cyclopropyl(naphthalen-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine
PubChem CID149097689
Molecular FormulaC24H22F3N
Molecular Weight381.44 g/mol
Exact Mass381.17
IUPAC Name(E)-N-[(R)-cyclopropyl(naphthalen-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine
SMILESFC(F)(F)c1cccc(/C=C/CN[C@@H](c2cccc3ccccc23)C2CC2)c1
InChIInChI=1S/C24H22F3N/c25-24(26,27)20-10-3-6-17(16-20)7-5-15-28-23(19-13-14-19)22-12-4-9-18-8-1-2-11-21(18)22/h1-12,16,19,23,28H,13-15H2/b7-5+/t23-/m1/s1
InChIKeyQTXVXCGOVZGUQX-NKOINVLESA-N
XLogP6.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.44
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (E)-N-[(R)-cyclopropyl(naphthalen-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(R)-cyclopropyl(naphthalen-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine?
The IUPAC name of (E)-N-[(R)-cyclopropyl(naphthalen-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine (CID 149097689) is (E)-N-[(R)-cyclopropyl(naphthalen-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine.
What is the SMILES notation for (E)-N-[(R)-cyclopropyl(naphthalen-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine?
The canonical SMILES for (E)-N-[(R)-cyclopropyl(naphthalen-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine is FC(F)(F)c1cccc(/C=C/CN[C@@H](c2cccc3ccccc23)C2CC2)c1.
What is the InChIKey of (E)-N-[(R)-cyclopropyl(naphthalen-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine?
The InChIKey is QTXVXCGOVZGUQX-NKOINVLESA-N. The full InChI is InChI=1S/C24H22F3N/c25-24(26,27)20-10-3-6-17(16-20)7-5-15-28-23(19-13-14-19)22-12-4-9-18-8-1-2-11-21(18)22/h1-12,16,19,23,28H,13-15H2/b7-5+/t23-/m1/s1.
What are the key properties of (E)-N-[(R)-cyclopropyl(naphthalen-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine?
(E)-N-[(R)-cyclopropyl(naphthalen-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine has a molecular weight of 381.44 g/mol, XLogP of 6.61, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(R)-cyclopropyl(naphthalen-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine is sourced from PubChem (CID 149097689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).