(1R,2S)-1-amino-1-(4-methoxy-2-methylphenyl)butan-2-ol

C12H19NO2 — CID 171265166

IUPAC(1R,2S)-1-amino-1-(4-methoxy-2-methylphenyl)butan-2-ol
SMILESCC[C@H](O)[C@H](N)c1ccc(OC)cc1C
InChIInChI=1S/C12H19NO2/c1-4-11(14)12(13)10-6-5-9(15-3)7-8(10)2/h5-7,11-12,14H,4,13H2,1-3H3/t11-,12+/m0/s1
InChIKeyYGNDCORYBVUYCY-NWDGAFQWSA-N
MW209.29 g/mol
LogP1.77
Rot. Bonds4

About (1R,2S)-1-amino-1-(4-methoxy-2-methylphenyl)butan-2-ol

(1R,2S)-1-amino-1-(4-methoxy-2-methylphenyl)butan-2-ol (PubChem CID 171265166) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-(4-methoxy-2-methylphenyl)butan-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-(4-methoxy-2-methylphenyl)butan-2-ol
PubChem CID171265166
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(1R,2S)-1-amino-1-(4-methoxy-2-methylphenyl)butan-2-ol
SMILESCC[C@H](O)[C@H](N)c1ccc(OC)cc1C
InChIInChI=1S/C12H19NO2/c1-4-11(14)12(13)10-6-5-9(15-3)7-8(10)2/h5-7,11-12,14H,4,13H2,1-3H3/t11-,12+/m0/s1
InChIKeyYGNDCORYBVUYCY-NWDGAFQWSA-N
XLogP1.77
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S)-1-amino-1-(2,5-dimethoxyphenyl)butan-2-ol
CID 96603983
1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 13147116
(1R)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride
CID 168719792
(1S)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride
CID 171233415
ethyl (3S)-3-amino-2-fluoro-3-(4-methoxy-2-methylphenyl)propanoate
CID 171250977
1-(4-methoxy-2-methylphenyl)-2-methylpentan-1-amine
CID 43210161
ethyl (3R)-3-amino-2-fluoro-3-(4-methoxy-2-methylphenyl)propanoate;hydrochloride
CID 171244245
1-(4-methoxy-2-methylphenyl)butan-1-amine
CID 43198786
1-(4-methoxy-2-methylphenyl)-3-methylpentan-1-amine
CID 114874188
1-(1-bromopropyl)-4-methoxy-2-methylbenzene
CID 61097886
(2,4-dimethoxyphenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 43198782
2-fluoro-2-(4-methoxy-2-methylphenyl)ethanol
CID 105426307

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-(4-methoxy-2-methylphenyl)butan-2-ol?
The IUPAC name of (1R,2S)-1-amino-1-(4-methoxy-2-methylphenyl)butan-2-ol (CID 171265166) is (1R,2S)-1-amino-1-(4-methoxy-2-methylphenyl)butan-2-ol.
What is the SMILES notation for (1R,2S)-1-amino-1-(4-methoxy-2-methylphenyl)butan-2-ol?
The canonical SMILES for (1R,2S)-1-amino-1-(4-methoxy-2-methylphenyl)butan-2-ol is CC[C@H](O)[C@H](N)c1ccc(OC)cc1C.
What is the InChIKey of (1R,2S)-1-amino-1-(4-methoxy-2-methylphenyl)butan-2-ol?
The InChIKey is YGNDCORYBVUYCY-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H19NO2/c1-4-11(14)12(13)10-6-5-9(15-3)7-8(10)2/h5-7,11-12,14H,4,13H2,1-3H3/t11-,12+/m0/s1.
What are the key properties of (1R,2S)-1-amino-1-(4-methoxy-2-methylphenyl)butan-2-ol?
(1R,2S)-1-amino-1-(4-methoxy-2-methylphenyl)butan-2-ol has a molecular weight of 209.29 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-amino-1-(4-methoxy-2-methylphenyl)butan-2-ol is sourced from PubChem (CID 171265166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).