(2R)-2-amino-2-[3-(hydroxymethyl)-4-methoxyphenyl]ethanol

C10H15NO3 — CID 66510832

IUPAC(2R)-2-amino-2-[3-(hydroxymethyl)-4-methoxyphenyl]ethanol
SMILESCOc1ccc([C@@H](N)CO)cc1CO
InChIInChI=1S/C10H15NO3/c1-14-10-3-2-7(9(11)6-13)4-8(10)5-12/h2-4,9,12-13H,5-6,11H2,1H3/t9-/m0/s1
InChIKeySSJZAECEAKWFNY-VIFPVBQESA-N
MW197.23 g/mol
LogP0.18
Rot. Bonds4

About (2R)-2-amino-2-[3-(hydroxymethyl)-4-methoxyphenyl]ethanol

(2R)-2-amino-2-[3-(hydroxymethyl)-4-methoxyphenyl]ethanol (PubChem CID 66510832) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is (2R)-2-amino-2-[3-(hydroxymethyl)-4-methoxyphenyl]ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-[3-(hydroxymethyl)-4-methoxyphenyl]ethanol
PubChem CID66510832
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name(2R)-2-amino-2-[3-(hydroxymethyl)-4-methoxyphenyl]ethanol
SMILESCOc1ccc([C@@H](N)CO)cc1CO
InChIInChI=1S/C10H15NO3/c1-14-10-3-2-7(9(11)6-13)4-8(10)5-12/h2-4,9,12-13H,5-6,11H2,1H3/t9-/m0/s1
InChIKeySSJZAECEAKWFNY-VIFPVBQESA-N
XLogP0.18
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(4-methoxy-3-propan-2-ylphenyl)ethanol
CID 82077843
(2R)-2-amino-2-(3-chloro-4-methoxyphenyl)ethanol
CID 42579768
(2R)-2-amino-2-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]ethanol
CID 66515878
2-amino-2-(4-ethoxy-3-methoxyphenyl)ethanol
CID 77128086
(2R)-2-amino-2-[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanol
CID 66516300
(2S)-2-amino-2-[3-(difluoromethoxy)-4-methoxyphenyl]ethanol
CID 66514880
(2S)-2-amino-2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethanol
CID 66515047
[5-[(1R)-1-amino-2-hydroxyethyl]-2-methoxyphenyl] acetate
CID 66514971
2-amino-2-[3-(1,1-difluoroethyl)-4-methoxyphenyl]ethanol
CID 84694404
(2R)-2-amino-2-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]ethanol
CID 66515094
(2S)-2-amino-2-(4-bromo-3,5-dimethoxyphenyl)ethanol
CID 66515834
1,3-bis(3,4-dimethoxyphenyl)propane-1,3-diamine
CID 14816116

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-[3-(hydroxymethyl)-4-methoxyphenyl]ethanol?
The IUPAC name of (2R)-2-amino-2-[3-(hydroxymethyl)-4-methoxyphenyl]ethanol (CID 66510832) is (2R)-2-amino-2-[3-(hydroxymethyl)-4-methoxyphenyl]ethanol.
What is the SMILES notation for (2R)-2-amino-2-[3-(hydroxymethyl)-4-methoxyphenyl]ethanol?
The canonical SMILES for (2R)-2-amino-2-[3-(hydroxymethyl)-4-methoxyphenyl]ethanol is COc1ccc([C@@H](N)CO)cc1CO.
What is the InChIKey of (2R)-2-amino-2-[3-(hydroxymethyl)-4-methoxyphenyl]ethanol?
The InChIKey is SSJZAECEAKWFNY-VIFPVBQESA-N. The full InChI is InChI=1S/C10H15NO3/c1-14-10-3-2-7(9(11)6-13)4-8(10)5-12/h2-4,9,12-13H,5-6,11H2,1H3/t9-/m0/s1.
What are the key properties of (2R)-2-amino-2-[3-(hydroxymethyl)-4-methoxyphenyl]ethanol?
(2R)-2-amino-2-[3-(hydroxymethyl)-4-methoxyphenyl]ethanol has a molecular weight of 197.23 g/mol, XLogP of 0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-[3-(hydroxymethyl)-4-methoxyphenyl]ethanol is sourced from PubChem (CID 66510832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).