(2S)-2-amino-2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethanol

C11H17NO4 — CID 66515047

IUPAC(2S)-2-amino-2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethanol
SMILESCOc1cc([C@H](N)CO)ccc1OCCO
InChIInChI=1S/C11H17NO4/c1-15-11-6-8(9(12)7-14)2-3-10(11)16-5-4-13/h2-3,6,9,13-14H,4-5,7,12H2,1H3/t9-/m1/s1
InChIKeyXVQOHGFVRZAKOG-SECBINFHSA-N
MW227.26 g/mol
LogP0.06
Rot. Bonds6

About (2S)-2-amino-2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethanol

(2S)-2-amino-2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethanol (PubChem CID 66515047) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is (2S)-2-amino-2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethanol
PubChem CID66515047
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name(2S)-2-amino-2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethanol
SMILESCOc1cc([C@H](N)CO)ccc1OCCO
InChIInChI=1S/C11H17NO4/c1-15-11-6-8(9(12)7-14)2-3-10(11)16-5-4-13/h2-3,6,9,13-14H,4-5,7,12H2,1H3/t9-/m1/s1
InChIKeyXVQOHGFVRZAKOG-SECBINFHSA-N
XLogP0.06
TPSA84.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-(4-ethoxy-3-methoxyphenyl)ethanol
CID 77128086
(2S)-2-amino-2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]acetic acid
CID 66512825
(2S)-2-amino-2-[3-methoxy-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]ethanol
CID 66516344
1,3-bis(3,4-dimethoxyphenyl)propane-1,3-diamine
CID 14816116
(2R)-2-amino-2-[3-(hydroxymethyl)-4-methoxyphenyl]ethanol
CID 66510832
2-amino-2-(4-methoxy-3-propan-2-ylphenyl)ethanol
CID 82077843
(2R)-2-amino-2-(3-chloro-4-methoxyphenyl)ethanol
CID 42579768
3-amino-3-(3,4-dimethoxyphenyl)propan-1-ol;hydrochloride
CID 132961318
(2S)-2-amino-2-[3-(difluoromethoxy)-4-methoxyphenyl]ethanol
CID 66514880
(4S)-4-amino-4-(4-ethoxy-3-methoxyphenyl)butan-1-ol;hydrochloride
CID 171231868
[5-[(1R)-1-amino-2-hydroxyethyl]-2-methoxyphenyl] acetate
CID 66514971
(1R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]ethanamine
CID 80699992

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethanol?
The IUPAC name of (2S)-2-amino-2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethanol (CID 66515047) is (2S)-2-amino-2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethanol.
What is the SMILES notation for (2S)-2-amino-2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethanol?
The canonical SMILES for (2S)-2-amino-2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethanol is COc1cc([C@H](N)CO)ccc1OCCO.
What is the InChIKey of (2S)-2-amino-2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethanol?
The InChIKey is XVQOHGFVRZAKOG-SECBINFHSA-N. The full InChI is InChI=1S/C11H17NO4/c1-15-11-6-8(9(12)7-14)2-3-10(11)16-5-4-13/h2-3,6,9,13-14H,4-5,7,12H2,1H3/t9-/m1/s1.
What are the key properties of (2S)-2-amino-2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethanol?
(2S)-2-amino-2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethanol has a molecular weight of 227.26 g/mol, XLogP of 0.06, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethanol is sourced from PubChem (CID 66515047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).