N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]-N-[(E)-3-[3-(trifluoromethyl)phenyl]prop-1-enyl]propan-1-amine

C32H29F6N — CID 138968212

IUPACN-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]-N-[(E)-3-[3-(trifluoromethyl)phenyl]prop-1-enyl]propan-1-amine
SMILESC[C@H](c1cccc2ccccc12)N(/C=C/Cc1cccc(C(F)(F)F)c1)CCCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C32H29F6N/c1-23(29-18-6-14-26-13-2-3-17-30(26)29)39(19-7-11-24-9-4-15-27(21-24)31(33,34)35)20-8-12-25-10-5-16-28(22-25)32(36,37)38/h2-7,9-10,13-19,21-23H,8,11-12,20H2,1H3/b19-7+/t23-/m1/s1
InChIKeyHDXSXFQHSGYEIQ-BFOXQQRMSA-N
MW541.58 g/mol
LogP9.63
Rot. Bonds9

About N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]-N-[(E)-3-[3-(trifluoromethyl)phenyl]prop-1-enyl]propan-1-amine

N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]-N-[(E)-3-[3-(trifluoromethyl)phenyl]prop-1-enyl]propan-1-amine (PubChem CID 138968212) has the molecular formula C32H29F6N and a molecular weight of 541.58 g/mol. Its IUPAC name is N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]-N-[(E)-3-[3-(trifluoromethyl)phenyl]prop-1-enyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]-N-[(E)-3-[3-(trifluoromethyl)phenyl]prop-1-enyl]propan-1-amine
PubChem CID138968212
Molecular FormulaC32H29F6N
Molecular Weight541.58 g/mol
Exact Mass541.22
IUPAC NameN-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]-N-[(E)-3-[3-(trifluoromethyl)phenyl]prop-1-enyl]propan-1-amine
SMILESC[C@H](c1cccc2ccccc12)N(/C=C/Cc1cccc(C(F)(F)F)c1)CCCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C32H29F6N/c1-23(29-18-6-14-26-13-2-3-17-30(26)29)39(19-7-11-24-9-4-15-27(21-24)31(33,34)35)20-8-12-25-10-5-16-28(22-25)32(36,37)38/h2-7,9-10,13-19,21-23H,8,11-12,20H2,1H3/b19-7+/t23-/m1/s1
InChIKeyHDXSXFQHSGYEIQ-BFOXQQRMSA-N
XLogP9.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.58
LogP ≤ 59.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]-N-[(E)-3-[3-(trifluoromethyl)phenyl]prop-1-enyl]propan-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

Related Compounds

Cinacalcet
CID 156419
Naftifine
CID 47641
Cinacalcet Hydrochloride
CID 156418
Xaliproden
CID 128919
Naftifine Hydrochloride
CID 5281098
Xaliproden Hydrochloride
CID 128918
N-(1-naphthalen-1-ylethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 6101856
N-methyl-N-(1-naphthalenylmethyl)-3-phenyl-2-propen-1-amine
CID 73342
(2S)-5-naphthalen-1-yl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 46233450
(Z)-N-methyl-N-(naphthalen-1-ylmethyl)-3-phenylprop-2-en-1-amine
CID 6604425
N-methyl(1-naphthyl)-N-(1-naphthylmethyl)methanamine
CID 223156
(1R)-1,2,3,4-Tetrahydro-1alpha-dimethylamino-4beta-(3-trifluoromethylphenyl)naphthalene
CID 44284620

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]-N-[(E)-3-[3-(trifluoromethyl)phenyl]prop-1-enyl]propan-1-amine?
The IUPAC name of N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]-N-[(E)-3-[3-(trifluoromethyl)phenyl]prop-1-enyl]propan-1-amine (CID 138968212) is N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]-N-[(E)-3-[3-(trifluoromethyl)phenyl]prop-1-enyl]propan-1-amine.
What is the SMILES notation for N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]-N-[(E)-3-[3-(trifluoromethyl)phenyl]prop-1-enyl]propan-1-amine?
The canonical SMILES for N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]-N-[(E)-3-[3-(trifluoromethyl)phenyl]prop-1-enyl]propan-1-amine is C[C@H](c1cccc2ccccc12)N(/C=C/Cc1cccc(C(F)(F)F)c1)CCCc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]-N-[(E)-3-[3-(trifluoromethyl)phenyl]prop-1-enyl]propan-1-amine?
The InChIKey is HDXSXFQHSGYEIQ-BFOXQQRMSA-N. The full InChI is InChI=1S/C32H29F6N/c1-23(29-18-6-14-26-13-2-3-17-30(26)29)39(19-7-11-24-9-4-15-27(21-24)31(33,34)35)20-8-12-25-10-5-16-28(22-25)32(36,37)38/h2-7,9-10,13-19,21-23H,8,11-12,20H2,1H3/b19-7+/t23-/m1/s1.
What are the key properties of N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]-N-[(E)-3-[3-(trifluoromethyl)phenyl]prop-1-enyl]propan-1-amine?
N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]-N-[(E)-3-[3-(trifluoromethyl)phenyl]prop-1-enyl]propan-1-amine has a molecular weight of 541.58 g/mol, XLogP of 9.63, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]-N-[(E)-3-[3-(trifluoromethyl)phenyl]prop-1-enyl]propan-1-amine is sourced from PubChem (CID 138968212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).