(2S)-1-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-3-(4-phenylphenoxy)propan-2-ol

C25H30N2O2 — CID 2485160

IUPAC(2S)-1-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-3-(4-phenylphenoxy)propan-2-ol
SMILESCN(C)[C@H](CNC[C@H](O)COc1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C25H30N2O2/c1-27(2)25(22-11-7-4-8-12-22)18-26-17-23(28)19-29-24-15-13-21(14-16-24)20-9-5-3-6-10-20/h3-16,23,25-26,28H,17-19H2,1-2H3/t23-,25+/m0/s1
InChIKeyJTOVVEPINSSAND-UKILVPOCSA-N
MW390.53 g/mol
LogP3.99
Rot. Bonds10

About (2S)-1-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-3-(4-phenylphenoxy)propan-2-ol

(2S)-1-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-3-(4-phenylphenoxy)propan-2-ol (PubChem CID 2485160) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is (2S)-1-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-3-(4-phenylphenoxy)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-3-(4-phenylphenoxy)propan-2-ol
PubChem CID2485160
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Name(2S)-1-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-3-(4-phenylphenoxy)propan-2-ol
SMILESCN(C)[C@H](CNC[C@H](O)COc1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C25H30N2O2/c1-27(2)25(22-11-7-4-8-12-22)18-26-17-23(28)19-29-24-15-13-21(14-16-24)20-9-5-3-6-10-20/h3-16,23,25-26,28H,17-19H2,1-2H3/t23-,25+/m0/s1
InChIKeyJTOVVEPINSSAND-UKILVPOCSA-N
XLogP3.99
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-3-(4-phenylphenoxy)propan-2-ol 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

1-(4-phenylphenoxy)-3-(prop-2-ynylamino)propan-2-ol
CID 4779843
(2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol
CID 7037801
(2S)-1-[[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-phenoxypropan-2-ol
CID 2093744
1-(butan-2-ylamino)-3-(4-phenylphenoxy)propan-2-ol
CID 44785149
1-[4-[(2S)-3-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-2-hydroxypropoxy]-3-methoxyphenyl]ethanone
CID 8890826
[(2S)-2-hydroxy-3-(4-phenylphenoxy)propyl]-trimethylazanium
CID 51859248
(2R)-1-(2,2-dimethoxyethylamino)-3-phenoxypropan-2-ol
CID 2421328
1-(2-aminopropylamino)-3-phenoxypropan-2-ol
CID 54410968
(2R)-1-bromo-3-(4-phenylphenoxy)propan-2-ol
CID 101048888
(2S)-1-(4-methoxyphenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 7025078
(2S)-1-(4-phenylphenoxy)-3-(pyridin-2-ylamino)propan-2-ol
CID 51567729
(2R)-1-[4-[(2R)-2-hydroxy-3-(2-phenylethylamino)propoxy]phenoxy]-3-(2-phenylethylamino)propan-2-ol
CID 41066855

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-3-(4-phenylphenoxy)propan-2-ol?
The IUPAC name of (2S)-1-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-3-(4-phenylphenoxy)propan-2-ol (CID 2485160) is (2S)-1-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-3-(4-phenylphenoxy)propan-2-ol.
What is the SMILES notation for (2S)-1-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-3-(4-phenylphenoxy)propan-2-ol?
The canonical SMILES for (2S)-1-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-3-(4-phenylphenoxy)propan-2-ol is CN(C)[C@H](CNC[C@H](O)COc1ccc(-c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of (2S)-1-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-3-(4-phenylphenoxy)propan-2-ol?
The InChIKey is JTOVVEPINSSAND-UKILVPOCSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-27(2)25(22-11-7-4-8-12-22)18-26-17-23(28)19-29-24-15-13-21(14-16-24)20-9-5-3-6-10-20/h3-16,23,25-26,28H,17-19H2,1-2H3/t23-,25+/m0/s1.
What are the key properties of (2S)-1-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-3-(4-phenylphenoxy)propan-2-ol?
(2S)-1-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-3-(4-phenylphenoxy)propan-2-ol has a molecular weight of 390.53 g/mol, XLogP of 3.99, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-3-(4-phenylphenoxy)propan-2-ol is sourced from PubChem (CID 2485160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).