(2S)-2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]propan-1-ol

C14H23NO2 — CID 97113683

IUPAC(2S)-2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]propan-1-ol
SMILESCOc1ccc([C@@H](N[C@@H](C)CO)C(C)C)cc1
InChIInChI=1S/C14H23NO2/c1-10(2)14(15-11(3)9-16)12-5-7-13(17-4)8-6-12/h5-8,10-11,14-16H,9H2,1-4H3/t11-,14-/m0/s1
InChIKeyXFWDLSGTTUOEHB-FZMZJTMJSA-N
MW237.34 g/mol
LogP2.36
Rot. Bonds6

About (2S)-2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]propan-1-ol

(2S)-2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]propan-1-ol (PubChem CID 97113683) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is (2S)-2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]propan-1-ol
PubChem CID97113683
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name(2S)-2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]propan-1-ol
SMILESCOc1ccc([C@@H](N[C@@H](C)CO)C(C)C)cc1
InChIInChI=1S/C14H23NO2/c1-10(2)14(15-11(3)9-16)12-5-7-13(17-4)8-6-12/h5-8,10-11,14-16H,9H2,1-4H3/t11-,14-/m0/s1
InChIKeyXFWDLSGTTUOEHB-FZMZJTMJSA-N
XLogP2.36
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]propan-1-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

(2R)-2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]propan-1-ol
CID 97112691
(2S)-2-[1-(4-methoxyphenyl)propylamino]propan-1-ol
CID 103789006
(2R)-2-[[(4-methoxyphenyl)-phenylmethyl]amino]propan-1-ol
CID 114982550
(2S)-2-[[(1R)-1-(3,4-difluorophenyl)-2-methylpropyl]amino]propan-1-ol
CID 99777285
(2S)-4-[[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]amino]butan-2-ol
CID 124515490
(2S)-2-[1-(4-methoxyphenyl)propylamino]-3-methylbutan-1-ol
CID 79254481
2-(4-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 9048684
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-(methylamino)acetamide;hydrochloride
CID 119693475
1-(4-methoxyphenyl)(213C)ethane-1,2-diol
CID 101170566
2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]-N-[2-[[2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]acetyl]amino]ethyl]acetamide
CID 75459806
2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]-N-[2-[[2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]acetyl]amino]ethyl]acetamide
CID 97305872
2-[1-(4-methoxyphenyl)ethylamino]-4-methylpentan-1-ol
CID 61246097

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]propan-1-ol?
The IUPAC name of (2S)-2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]propan-1-ol (CID 97113683) is (2S)-2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]propan-1-ol.
What is the SMILES notation for (2S)-2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]propan-1-ol?
The canonical SMILES for (2S)-2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]propan-1-ol is COc1ccc([C@@H](N[C@@H](C)CO)C(C)C)cc1.
What is the InChIKey of (2S)-2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]propan-1-ol?
The InChIKey is XFWDLSGTTUOEHB-FZMZJTMJSA-N. The full InChI is InChI=1S/C14H23NO2/c1-10(2)14(15-11(3)9-16)12-5-7-13(17-4)8-6-12/h5-8,10-11,14-16H,9H2,1-4H3/t11-,14-/m0/s1.
What are the key properties of (2S)-2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]propan-1-ol?
(2S)-2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]propan-1-ol has a molecular weight of 237.34 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]propan-1-ol is sourced from PubChem (CID 97113683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).