(2S,3S)-2-amino-3-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-ol

C18H23NO2 — CID 118347436

IUPAC(2S,3S)-2-amino-3-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-ol
SMILESCOc1cccc([C@H](c2cc(C)cc(C)c2)[C@H](N)CO)c1
InChIInChI=1S/C18H23NO2/c1-12-7-13(2)9-15(8-12)18(17(19)11-20)14-5-4-6-16(10-14)21-3/h4-10,17-18,20H,11,19H2,1-3H3/t17-,18-/m1/s1
InChIKeyOKJIJDVEUGJABV-QZTJIDSGSA-N
MW285.39 g/mol
LogP2.76
Rot. Bonds5

About (2S,3S)-2-amino-3-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-ol

(2S,3S)-2-amino-3-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-ol (PubChem CID 118347436) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-ol
PubChem CID118347436
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name(2S,3S)-2-amino-3-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-ol
SMILESCOc1cccc([C@H](c2cc(C)cc(C)c2)[C@H](N)CO)c1
InChIInChI=1S/C18H23NO2/c1-12-7-13(2)9-15(8-12)18(17(19)11-20)14-5-4-6-16(10-14)21-3/h4-10,17-18,20H,11,19H2,1-3H3/t17-,18-/m1/s1
InChIKeyOKJIJDVEUGJABV-QZTJIDSGSA-N
XLogP2.76
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-ol
CID 118347456
2-amino-3-(3-methoxyphenyl)butan-1-ol
CID 83907824
3-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-ol
CID 123769924
(1R)-2-(3,5-dimethylphenyl)-1-(3-methoxyphenyl)ethanamine
CID 93461868
(3-fluoro-5-methylphenyl)-(3-methoxyphenyl)methanol
CID 79689828
2-bromo-2-(3-methoxyphenyl)ethanol
CID 22371552
4-[amino-(3-methoxyphenyl)methyl]aniline
CID 116936827
(1S,2R)-1-amino-1-(3-methoxyphenyl)butan-2-ol;hydrochloride
CID 171161967
(3R)-3-amino-3-(3-methoxyphenyl)-2,2-dimethylpropan-1-ol
CID 171239631
4-amino-2-(3-methoxyphenyl)butan-1-ol
CID 115020276
(3R)-3-amino-2,2-difluoro-3-(3-methoxyphenyl)propan-1-ol
CID 171239633
1-(3-methoxyphenyl)ethanamine;hydrochloride
CID 19864848

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-ol?
The IUPAC name of (2S,3S)-2-amino-3-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-ol (CID 118347436) is (2S,3S)-2-amino-3-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-ol.
What is the SMILES notation for (2S,3S)-2-amino-3-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-ol?
The canonical SMILES for (2S,3S)-2-amino-3-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-ol is COc1cccc([C@H](c2cc(C)cc(C)c2)[C@H](N)CO)c1.
What is the InChIKey of (2S,3S)-2-amino-3-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-ol?
The InChIKey is OKJIJDVEUGJABV-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H23NO2/c1-12-7-13(2)9-15(8-12)18(17(19)11-20)14-5-4-6-16(10-14)21-3/h4-10,17-18,20H,11,19H2,1-3H3/t17-,18-/m1/s1.
What are the key properties of (2S,3S)-2-amino-3-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-ol?
(2S,3S)-2-amino-3-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-ol has a molecular weight of 285.39 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 118347436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).