(1S,2R)-1-amino-1-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol

C13H21NO2 — CID 171162425

IUPAC(1S,2R)-1-amino-1-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol
SMILESCOc1ccccc1[C@H](N)[C@H](O)C(C)(C)C
InChIInChI=1S/C13H21NO2/c1-13(2,3)12(15)11(14)9-7-5-6-8-10(9)16-4/h5-8,11-12,15H,14H2,1-4H3/t11-,12-/m0/s1
InChIKeyWOGMRUWDWARVDL-RYUDHWBXSA-N
MW223.32 g/mol
LogP2.10
Rot. Bonds3

About (1S,2R)-1-amino-1-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol

(1S,2R)-1-amino-1-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol (PubChem CID 171162425) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol
PubChem CID171162425
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name(1S,2R)-1-amino-1-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol
SMILESCOc1ccccc1[C@H](N)[C@H](O)C(C)(C)C
InChIInChI=1S/C13H21NO2/c1-13(2,3)12(15)11(14)9-7-5-6-8-10(9)16-4/h5-8,11-12,15H,14H2,1-4H3/t11-,12-/m0/s1
InChIKeyWOGMRUWDWARVDL-RYUDHWBXSA-N
XLogP2.10
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S)-1-amino-1-(5-fluoro-2-methoxyphenyl)-3,3-dimethylbutan-2-ol;hydrochloride
CID 171262534
(1R,2S)-1-amino-1-(2,6-dimethoxyphenyl)-3,3-dimethylbutan-2-ol;hydrochloride
CID 171261410
(1S,2R)-1-amino-1-(2,5-dimethoxyphenyl)-3,3-dimethylbutan-2-ol
CID 171162385
(1S,2R)-1-amino-1-(5-chloro-2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 171271304
1-amino-1-(2-methoxyphenyl)propan-2-ol;hydrochloride
CID 162343351
(1S,2R)-1-amino-3,3-dimethyl-1-(2,4,5-trimethoxyphenyl)butan-2-ol;hydrochloride
CID 171162228
(1R,2S)-1-amino-3,3-dimethyl-1-(2,4,5-trimethoxyphenyl)butan-2-ol;hydrochloride
CID 171160797
(1R,2S)-1-amino-1-(2-methoxyphenyl)butan-2-ol
CID 96622527
(1R,3S)-3-amino-1-(2-methoxyphenyl)-4,4-dimethylpentan-1-ol
CID 171236822
(1S,3R)-3-amino-1-(2-methoxyphenyl)-4,4-dimethylpentan-1-ol
CID 171237432
1-methoxy-2-(2,2,4,4-tetramethylpentan-3-yl)benzene
CID 173474378
3,3,3-trifluoro-1-(2-methoxyphenyl)-2-(trifluoromethyl)propan-1-amine
CID 103311703

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol?
The IUPAC name of (1S,2R)-1-amino-1-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol (CID 171162425) is (1S,2R)-1-amino-1-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol.
What is the SMILES notation for (1S,2R)-1-amino-1-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol?
The canonical SMILES for (1S,2R)-1-amino-1-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol is COc1ccccc1[C@H](N)[C@H](O)C(C)(C)C.
What is the InChIKey of (1S,2R)-1-amino-1-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol?
The InChIKey is WOGMRUWDWARVDL-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H21NO2/c1-13(2,3)12(15)11(14)9-7-5-6-8-10(9)16-4/h5-8,11-12,15H,14H2,1-4H3/t11-,12-/m0/s1.
What are the key properties of (1S,2R)-1-amino-1-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol?
(1S,2R)-1-amino-1-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol has a molecular weight of 223.32 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-amino-1-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 171162425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).