4-[(1R)-1-amino-2-hydroxyethyl]-3-methylphenol

C9H13NO2 — CID 66513632

IUPAC4-[(1R)-1-amino-2-hydroxyethyl]-3-methylphenol
SMILESCc1cc(O)ccc1[C@@H](N)CO
InChIInChI=1S/C9H13NO2/c1-6-4-7(12)2-3-8(6)9(10)5-11/h2-4,9,11-12H,5,10H2,1H3/t9-/m0/s1
InChIKeySSQFZFVJBLDGOJ-VIFPVBQESA-N
MW167.21 g/mol
LogP0.69
Rot. Bonds2

About 4-[(1R)-1-amino-2-hydroxyethyl]-3-methylphenol

4-[(1R)-1-amino-2-hydroxyethyl]-3-methylphenol (PubChem CID 66513632) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-[(1R)-1-amino-2-hydroxyethyl]-3-methylphenol.

Molecular Properties

Compound Name4-[(1R)-1-amino-2-hydroxyethyl]-3-methylphenol
PubChem CID66513632
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name4-[(1R)-1-amino-2-hydroxyethyl]-3-methylphenol
SMILESCc1cc(O)ccc1[C@@H](N)CO
InChIInChI=1S/C9H13NO2/c1-6-4-7(12)2-3-8(6)9(10)5-11/h2-4,9,11-12H,5,10H2,1H3/t9-/m0/s1
InChIKeySSQFZFVJBLDGOJ-VIFPVBQESA-N
XLogP0.69
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-2-(2,4-dimethylphenyl)ethanol
CID 42579716
4-[(1R)-1-aminopentyl]-3-methylphenol
CID 55253511
(2S)-2-amino-2-(4-iodo-2-methylphenyl)ethanol
CID 66515906
4-(1-amino-2-hydroxyethyl)-3-fluorophenol
CID 55282976
2-amino-2-(4-bromo-2-methylphenyl)ethanol;hydrochloride
CID 138109643
4-(1-amino-2-hydroxyethyl)-3-(hydroxymethyl)phenol
CID 130042329
2-amino-2-(2,4,5-trimethylphenyl)ethanol
CID 17389879
4-[(1S)-1-amino-2-hydroxyethyl]-3-methylbenzoic acid
CID 66513892
4-[(1S)-1-amino-2-methylpropyl]-3-methylphenol
CID 55254730
3-[(1R)-1-amino-2-hydroxyethyl]-4-bromophenol
CID 66515055
4-[(1S,2R)-1-amino-2-hydroxypropyl]-3-methylphenol
CID 130650619
3-(1-amino-2-hydroxyethyl)-4-fluorophenol
CID 55296620

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-amino-2-hydroxyethyl]-3-methylphenol?
The IUPAC name of 4-[(1R)-1-amino-2-hydroxyethyl]-3-methylphenol (CID 66513632) is 4-[(1R)-1-amino-2-hydroxyethyl]-3-methylphenol.
What is the SMILES notation for 4-[(1R)-1-amino-2-hydroxyethyl]-3-methylphenol?
The canonical SMILES for 4-[(1R)-1-amino-2-hydroxyethyl]-3-methylphenol is Cc1cc(O)ccc1[C@@H](N)CO.
What is the InChIKey of 4-[(1R)-1-amino-2-hydroxyethyl]-3-methylphenol?
The InChIKey is SSQFZFVJBLDGOJ-VIFPVBQESA-N. The full InChI is InChI=1S/C9H13NO2/c1-6-4-7(12)2-3-8(6)9(10)5-11/h2-4,9,11-12H,5,10H2,1H3/t9-/m0/s1.
What are the key properties of 4-[(1R)-1-amino-2-hydroxyethyl]-3-methylphenol?
4-[(1R)-1-amino-2-hydroxyethyl]-3-methylphenol has a molecular weight of 167.21 g/mol, XLogP of 0.69, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-amino-2-hydroxyethyl]-3-methylphenol is sourced from PubChem (CID 66513632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).