2-N-methyl-1-phenyl-1-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]prop-2-ene-1,2-diamine

C30H33F3N2 — CID 70295276

IUPAC2-N-methyl-1-phenyl-1-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]prop-2-ene-1,2-diamine
SMILESC=C(NC)C(NC(CCc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)CCCC2)c1ccccc1
InChIInChI=1S/C30H33F3N2/c1-21(34-2)29(24-9-4-3-5-10-24)35-28(26-16-15-23-8-6-7-11-25(23)20-26)19-14-22-12-17-27(18-13-22)30(31,32)33/h3-5,9-10,12-13,15-18,20,28-29,34-35H,1,6-8,11,14,19H2,2H3
InChIKeyUICXNKWCWIVLKT-UHFFFAOYSA-N
MW478.60 g/mol
LogP7.32
Rot. Bonds9

About 2-N-methyl-1-phenyl-1-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]prop-2-ene-1,2-diamine

2-N-methyl-1-phenyl-1-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]prop-2-ene-1,2-diamine (PubChem CID 70295276) has the molecular formula C30H33F3N2 and a molecular weight of 478.60 g/mol. Its IUPAC name is 2-N-methyl-1-phenyl-1-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]prop-2-ene-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-1-phenyl-1-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]prop-2-ene-1,2-diamine
PubChem CID70295276
Molecular FormulaC30H33F3N2
Molecular Weight478.60 g/mol
Exact Mass478.26
IUPAC Name2-N-methyl-1-phenyl-1-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]prop-2-ene-1,2-diamine
SMILESC=C(NC)C(NC(CCc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)CCCC2)c1ccccc1
InChIInChI=1S/C30H33F3N2/c1-21(34-2)29(24-9-4-3-5-10-24)35-28(26-16-15-23-8-6-7-11-25(23)20-26)19-14-22-12-17-27(18-13-22)30(31,32)33/h3-5,9-10,12-13,15-18,20,28-29,34-35H,1,6-8,11,14,19H2,2H3
InChIKeyUICXNKWCWIVLKT-UHFFFAOYSA-N
XLogP7.32
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.60
LogP ≤ 57.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-N-methyl-1-phenyl-1-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]prop-2-ene-1,2-diamine 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

(2R)-N-methyl-2-phenyl-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]acetamide
CID 59553811
(1S)-2-N-methyl-1-N-[3-(4-methylphenyl)-1-[4-(trifluoromethyl)phenyl]propyl]-1-phenylprop-2-ene-1,2-diamine
CID 145469237
(1R)-1-N-[(1S)-1-(3,4-dimethoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]-2-N-methyl-1-phenylprop-2-ene-1,2-diamine
CID 70293357
(1R)-1-N-[1-(4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]-2-N-methyl-1-phenylprop-2-ene-1,2-diamine
CID 70293456
(1R)-1-N-[(1R)-1-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]-2-N-methyl-1-phenylprop-2-ene-1,2-diamine
CID 70294157
(2R)-2-[[(1R)-1-(3,4-dihydro-2H-chromen-6-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 68768136
(2S)-2-[[(1R)-1-(3,4-dihydro-2H-chromen-6-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 68765409
(2S)-2-[[(1S)-1-(1,3-benzodioxol-5-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 90804133
(2R)-2-[[(1R)-1-(1,3-benzodioxol-5-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 59553827
(2S)-2-[[(1R)-1-(3-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 68769278
(2R)-2-[[1-(3-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 162541004
2-[[(1S)-1-(3-chloro-4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 68767356

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-1-phenyl-1-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]prop-2-ene-1,2-diamine?
The IUPAC name of 2-N-methyl-1-phenyl-1-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]prop-2-ene-1,2-diamine (CID 70295276) is 2-N-methyl-1-phenyl-1-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]prop-2-ene-1,2-diamine.
What is the SMILES notation for 2-N-methyl-1-phenyl-1-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]prop-2-ene-1,2-diamine?
The canonical SMILES for 2-N-methyl-1-phenyl-1-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]prop-2-ene-1,2-diamine is C=C(NC)C(NC(CCc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)CCCC2)c1ccccc1.
What is the InChIKey of 2-N-methyl-1-phenyl-1-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]prop-2-ene-1,2-diamine?
The InChIKey is UICXNKWCWIVLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33F3N2/c1-21(34-2)29(24-9-4-3-5-10-24)35-28(26-16-15-23-8-6-7-11-25(23)20-26)19-14-22-12-17-27(18-13-22)30(31,32)33/h3-5,9-10,12-13,15-18,20,28-29,34-35H,1,6-8,11,14,19H2,2H3.
What are the key properties of 2-N-methyl-1-phenyl-1-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]prop-2-ene-1,2-diamine?
2-N-methyl-1-phenyl-1-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]prop-2-ene-1,2-diamine has a molecular weight of 478.60 g/mol, XLogP of 7.32, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-1-phenyl-1-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenyl]propyl]prop-2-ene-1,2-diamine is sourced from PubChem (CID 70295276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).