(3R)-3-amino-3-(2,6-dimethoxyphenyl)propan-1-ol;hydrochloride

C11H18ClNO3 — CID 171201207

IUPAC(3R)-3-amino-3-(2,6-dimethoxyphenyl)propan-1-ol;hydrochloride
SMILESCOc1cccc(OC)c1[C@H](N)CCO.Cl
InChIInChI=1S/C11H17NO3.ClH/c1-14-9-4-3-5-10(15-2)11(9)8(12)6-7-13;/h3-5,8,13H,6-7,12H2,1-2H3;1H/t8-;/m1./s1
InChIKeyFTZARFWNTVMWCU-DDWIOCJRSA-N
MW247.72 g/mol
LogP1.51
Rot. Bonds5

About (3R)-3-amino-3-(2,6-dimethoxyphenyl)propan-1-ol;hydrochloride

(3R)-3-amino-3-(2,6-dimethoxyphenyl)propan-1-ol;hydrochloride (PubChem CID 171201207) has the molecular formula C11H18ClNO3 and a molecular weight of 247.72 g/mol. Its IUPAC name is (3R)-3-amino-3-(2,6-dimethoxyphenyl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name(3R)-3-amino-3-(2,6-dimethoxyphenyl)propan-1-ol;hydrochloride
PubChem CID171201207
Molecular FormulaC11H18ClNO3
Molecular Weight247.72 g/mol
Exact Mass247.10
IUPAC Name(3R)-3-amino-3-(2,6-dimethoxyphenyl)propan-1-ol;hydrochloride
SMILESCOc1cccc(OC)c1[C@H](N)CCO.Cl
InChIInChI=1S/C11H17NO3.ClH/c1-14-9-4-3-5-10(15-2)11(9)8(12)6-7-13;/h3-5,8,13H,6-7,12H2,1-2H3;1H/t8-;/m1./s1
InChIKeyFTZARFWNTVMWCU-DDWIOCJRSA-N
XLogP1.51
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.72
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1R)-1-amino-4-hydroxybutyl]-3-methoxyphenol;hydrochloride
CID 171216328
(1S)-1-(2,6-dimethoxyphenyl)-3-fluoropropan-1-amine
CID 171220717
2-[(1S)-1-amino-3-hydroxypropyl]-6-methoxyphenol;hydrochloride
CID 171231919
(1R)-1-(2,6-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 171201163
(1S)-1-(2,6-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201155
3-amino-3-(3-methoxy-2-methylphenyl)propan-1-ol
CID 83830990
(1R)-1-(2,6-dimethoxyphenyl)-4,4,4-trifluorobutan-1-amine
CID 171201179
1-(2,6-dimethoxyphenyl)ethane-1,2-diamine
CID 22756535
(1S)-1-(2,6-dimethoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171220710
2-[(1R)-1-amino-3-hydroxypropyl]-6-chloro-3-methoxyphenol
CID 171257518
2-[(1R)-1-aminopentyl]-3-methoxyphenol;hydrochloride
CID 171216291
2-(1-amino-2-hydroxyethyl)-3-methoxyphenol
CID 77129655

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(2,6-dimethoxyphenyl)propan-1-ol;hydrochloride?
The IUPAC name of (3R)-3-amino-3-(2,6-dimethoxyphenyl)propan-1-ol;hydrochloride (CID 171201207) is (3R)-3-amino-3-(2,6-dimethoxyphenyl)propan-1-ol;hydrochloride.
What is the SMILES notation for (3R)-3-amino-3-(2,6-dimethoxyphenyl)propan-1-ol;hydrochloride?
The canonical SMILES for (3R)-3-amino-3-(2,6-dimethoxyphenyl)propan-1-ol;hydrochloride is COc1cccc(OC)c1[C@H](N)CCO.Cl.
What is the InChIKey of (3R)-3-amino-3-(2,6-dimethoxyphenyl)propan-1-ol;hydrochloride?
The InChIKey is FTZARFWNTVMWCU-DDWIOCJRSA-N. The full InChI is InChI=1S/C11H17NO3.ClH/c1-14-9-4-3-5-10(15-2)11(9)8(12)6-7-13;/h3-5,8,13H,6-7,12H2,1-2H3;1H/t8-;/m1./s1.
What are the key properties of (3R)-3-amino-3-(2,6-dimethoxyphenyl)propan-1-ol;hydrochloride?
(3R)-3-amino-3-(2,6-dimethoxyphenyl)propan-1-ol;hydrochloride has a molecular weight of 247.72 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(2,6-dimethoxyphenyl)propan-1-ol;hydrochloride is sourced from PubChem (CID 171201207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).