(2S)-1-N-methyl-2-N-[(2R)-2-[2-(4-methylphenyl)ethylamino]-3-naphthalen-1-ylpropyl]-3-phenylpropane-1,2-diamine

C32H39N3 — CID 24793742

IUPAC(2S)-1-N-methyl-2-N-[(2R)-2-[2-(4-methylphenyl)ethylamino]-3-naphthalen-1-ylpropyl]-3-phenylpropane-1,2-diamine
SMILESCNC[C@H](Cc1ccccc1)NC[C@@H](Cc1cccc2ccccc12)NCCc1ccc(C)cc1
InChIInChI=1S/C32H39N3/c1-25-15-17-26(18-16-25)19-20-34-31(22-29-13-8-12-28-11-6-7-14-32(28)29)24-35-30(23-33-2)21-27-9-4-3-5-10-27/h3-18,30-31,33-35H,19-24H2,1-2H3/t30-,31+/m0/s1
InChIKeyXZNLZOYTUILGIG-IOWSJCHKSA-N
MW465.69 g/mol
LogP5.31
Rot. Bonds13

About (2S)-1-N-methyl-2-N-[(2R)-2-[2-(4-methylphenyl)ethylamino]-3-naphthalen-1-ylpropyl]-3-phenylpropane-1,2-diamine

(2S)-1-N-methyl-2-N-[(2R)-2-[2-(4-methylphenyl)ethylamino]-3-naphthalen-1-ylpropyl]-3-phenylpropane-1,2-diamine (PubChem CID 24793742) has the molecular formula C32H39N3 and a molecular weight of 465.69 g/mol. Its IUPAC name is (2S)-1-N-methyl-2-N-[(2R)-2-[2-(4-methylphenyl)ethylamino]-3-naphthalen-1-ylpropyl]-3-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name(2S)-1-N-methyl-2-N-[(2R)-2-[2-(4-methylphenyl)ethylamino]-3-naphthalen-1-ylpropyl]-3-phenylpropane-1,2-diamine
PubChem CID24793742
Molecular FormulaC32H39N3
Molecular Weight465.69 g/mol
Exact Mass465.31
IUPAC Name(2S)-1-N-methyl-2-N-[(2R)-2-[2-(4-methylphenyl)ethylamino]-3-naphthalen-1-ylpropyl]-3-phenylpropane-1,2-diamine
SMILESCNC[C@H](Cc1ccccc1)NC[C@@H](Cc1cccc2ccccc12)NCCc1ccc(C)cc1
InChIInChI=1S/C32H39N3/c1-25-15-17-26(18-16-25)19-20-34-31(22-29-13-8-12-28-11-6-7-14-32(28)29)24-35-30(23-33-2)21-27-9-4-3-5-10-27/h3-18,30-31,33-35H,19-24H2,1-2H3/t30-,31+/m0/s1
InChIKeyXZNLZOYTUILGIG-IOWSJCHKSA-N
XLogP5.31
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.69
LogP ≤ 55.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-1-N-methyl-2-N-[(2R)-2-[2-(4-methylphenyl)ethylamino]-3-naphthalen-1-ylpropyl]-3-phenylpropane-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

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-methyl-2-N-[(2R)-2-[2-(4-methylphenyl)ethylamino]-3-naphthalen-1-ylpropyl]-3-phenylpropane-1,2-diamine?
The IUPAC name of (2S)-1-N-methyl-2-N-[(2R)-2-[2-(4-methylphenyl)ethylamino]-3-naphthalen-1-ylpropyl]-3-phenylpropane-1,2-diamine (CID 24793742) is (2S)-1-N-methyl-2-N-[(2R)-2-[2-(4-methylphenyl)ethylamino]-3-naphthalen-1-ylpropyl]-3-phenylpropane-1,2-diamine.
What is the SMILES notation for (2S)-1-N-methyl-2-N-[(2R)-2-[2-(4-methylphenyl)ethylamino]-3-naphthalen-1-ylpropyl]-3-phenylpropane-1,2-diamine?
The canonical SMILES for (2S)-1-N-methyl-2-N-[(2R)-2-[2-(4-methylphenyl)ethylamino]-3-naphthalen-1-ylpropyl]-3-phenylpropane-1,2-diamine is CNC[C@H](Cc1ccccc1)NC[C@@H](Cc1cccc2ccccc12)NCCc1ccc(C)cc1.
What is the InChIKey of (2S)-1-N-methyl-2-N-[(2R)-2-[2-(4-methylphenyl)ethylamino]-3-naphthalen-1-ylpropyl]-3-phenylpropane-1,2-diamine?
The InChIKey is XZNLZOYTUILGIG-IOWSJCHKSA-N. The full InChI is InChI=1S/C32H39N3/c1-25-15-17-26(18-16-25)19-20-34-31(22-29-13-8-12-28-11-6-7-14-32(28)29)24-35-30(23-33-2)21-27-9-4-3-5-10-27/h3-18,30-31,33-35H,19-24H2,1-2H3/t30-,31+/m0/s1.
What are the key properties of (2S)-1-N-methyl-2-N-[(2R)-2-[2-(4-methylphenyl)ethylamino]-3-naphthalen-1-ylpropyl]-3-phenylpropane-1,2-diamine?
(2S)-1-N-methyl-2-N-[(2R)-2-[2-(4-methylphenyl)ethylamino]-3-naphthalen-1-ylpropyl]-3-phenylpropane-1,2-diamine has a molecular weight of 465.69 g/mol, XLogP of 5.31, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-methyl-2-N-[(2R)-2-[2-(4-methylphenyl)ethylamino]-3-naphthalen-1-ylpropyl]-3-phenylpropane-1,2-diamine is sourced from PubChem (CID 24793742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).