(2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol

C10H15NO2 — CID 55278412

IUPAC(2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol
SMILESCOc1ccc(C)cc1[C@H](N)CO
InChIInChI=1S/C10H15NO2/c1-7-3-4-10(13-2)8(5-7)9(11)6-12/h3-5,9,12H,6,11H2,1-2H3/t9-/m1/s1
InChIKeyJMQJLPCLMQBSHJ-SECBINFHSA-N
MW181.23 g/mol
LogP1.00
Rot. Bonds3

About (2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol

(2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol (PubChem CID 55278412) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is (2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol
PubChem CID55278412
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name(2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol
SMILESCOc1ccc(C)cc1[C@H](N)CO
InChIInChI=1S/C10H15NO2/c1-7-3-4-10(13-2)8(5-7)9(11)6-12/h3-5,9,12H,6,11H2,1-2H3/t9-/m1/s1
InChIKeyJMQJLPCLMQBSHJ-SECBINFHSA-N
XLogP1.00
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1R)-1-amino-2-hydroxyethyl]-4-methoxyphenol
CID 55292444
(1R)-1-(2-methoxy-5-methylphenyl)butan-1-amine
CID 55278250
(2R)-2-amino-2-(5-bromo-2-methoxyphenyl)ethanol
CID 66515416
3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]sulfanyl-2-methylpropan-1-ol
CID 66105221
2-amino-2-(2-methoxy-4,5-dimethylphenyl)ethanol
CID 77129776
(2S)-2-amino-2-(5-chloro-2-methoxyphenyl)ethanol;hydrochloride
CID 171215057
(2R)-2-amino-2-(5-tert-butyl-2-methoxyphenyl)ethanol
CID 66514274
3-amino-3-(2-methoxy-5-methylphenyl)propanehydrazide
CID 116848730
2-amino-2-[2-methoxy-5-(methoxymethyl)phenyl]ethanol
CID 83885403
5-amino-5-(2-methoxy-5-methylphenyl)pentanamide
CID 54927575
(2R)-2-amino-2-(2,4,5-trimethoxyphenyl)ethanol
CID 42579772
2-amino-2-(2-methoxyphenyl)ethanol
CID 10352062

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol?
The IUPAC name of (2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol (CID 55278412) is (2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol.
What is the SMILES notation for (2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol?
The canonical SMILES for (2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol is COc1ccc(C)cc1[C@H](N)CO.
What is the InChIKey of (2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol?
The InChIKey is JMQJLPCLMQBSHJ-SECBINFHSA-N. The full InChI is InChI=1S/C10H15NO2/c1-7-3-4-10(13-2)8(5-7)9(11)6-12/h3-5,9,12H,6,11H2,1-2H3/t9-/m1/s1.
What are the key properties of (2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol?
(2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol has a molecular weight of 181.23 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol is sourced from PubChem (CID 55278412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).