(2S,3R)-3-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-methylbutan-1-ol

C15H25NO3 — CID 97232591

IUPAC(2S,3R)-3-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-methylbutan-1-ol
SMILESCOc1ccc(OC)c([C@H](C)N[C@H](C)[C@H](C)CO)c1
InChIInChI=1S/C15H25NO3/c1-10(9-17)11(2)16-12(3)14-8-13(18-4)6-7-15(14)19-5/h6-8,10-12,16-17H,9H2,1-5H3/t10-,11-,12+/m1/s1
InChIKeyJINUMVXOZCWGPT-UTUOFQBUSA-N
MW267.37 g/mol
LogP2.37
Rot. Bonds7

About (2S,3R)-3-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-methylbutan-1-ol

(2S,3R)-3-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-methylbutan-1-ol (PubChem CID 97232591) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is (2S,3R)-3-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name(2S,3R)-3-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-methylbutan-1-ol
PubChem CID97232591
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name(2S,3R)-3-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-methylbutan-1-ol
SMILESCOc1ccc(OC)c([C@H](C)N[C@H](C)[C@H](C)CO)c1
InChIInChI=1S/C15H25NO3/c1-10(9-17)11(2)16-12(3)14-8-13(18-4)6-7-15(14)19-5/h6-8,10-12,16-17H,9H2,1-5H3/t10-,11-,12+/m1/s1
InChIKeyJINUMVXOZCWGPT-UTUOFQBUSA-N
XLogP2.37
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,3R)-3-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-methylbutan-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

3-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylbutan-1-ol
CID 115722852
N-[1-(2,5-dimethoxyphenyl)ethyl]pentan-2-amine
CID 43191466
N-[1-(2,5-dimethoxyphenyl)ethyl]-1-methylsulfanylpropan-2-amine
CID 115721691
(1S)-1-(2,5-dimethoxyphenyl)-N-methylethanamine
CID 40516621
2-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82944858
(1R)-1-(2,5-dimethoxyphenyl)ethane-1,2-diol
CID 51666215
N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylsulfonylpropan-2-amine
CID 115889887
1-cyclopentyl-N-[1-(2,5-dimethoxyphenyl)ethyl]ethanamine
CID 62632992
1-(2,5-dimethoxyphenyl)-N-ethoxyethanamine
CID 82709740
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methylsulfanylbutan-2-amine
CID 115721915
2-[1-(2,5-dimethoxyphenyl)ethylamino]-N,N-dimethylpropanamide
CID 43401048
1-(2,5-dimethoxyphenyl)-2-(propan-2-ylamino)propan-1-ol
CID 6080

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-methylbutan-1-ol?
The IUPAC name of (2S,3R)-3-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-methylbutan-1-ol (CID 97232591) is (2S,3R)-3-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-methylbutan-1-ol.
What is the SMILES notation for (2S,3R)-3-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-methylbutan-1-ol?
The canonical SMILES for (2S,3R)-3-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-methylbutan-1-ol is COc1ccc(OC)c([C@H](C)N[C@H](C)[C@H](C)CO)c1.
What is the InChIKey of (2S,3R)-3-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-methylbutan-1-ol?
The InChIKey is JINUMVXOZCWGPT-UTUOFQBUSA-N. The full InChI is InChI=1S/C15H25NO3/c1-10(9-17)11(2)16-12(3)14-8-13(18-4)6-7-15(14)19-5/h6-8,10-12,16-17H,9H2,1-5H3/t10-,11-,12+/m1/s1.
What are the key properties of (2S,3R)-3-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-methylbutan-1-ol?
(2S,3R)-3-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-methylbutan-1-ol has a molecular weight of 267.37 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-methylbutan-1-ol is sourced from PubChem (CID 97232591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).