4-[(1R)-1-aminoethyl]-2-methylphenol

C9H13NO — CID 59272894

IUPAC4-[(1R)-1-aminoethyl]-2-methylphenol
SMILESCc1cc([C@@H](C)N)ccc1O
InChIInChI=1S/C9H13NO/c1-6-5-8(7(2)10)3-4-9(6)11/h3-5,7,11H,10H2,1-2H3/t7-/m1/s1
InChIKeyVWXKYOURUNGZBE-SSDOTTSWSA-N
MW151.21 g/mol
LogP1.72
Rot. Bonds1

About 4-[(1R)-1-aminoethyl]-2-methylphenol

4-[(1R)-1-aminoethyl]-2-methylphenol (PubChem CID 59272894) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 4-[(1R)-1-aminoethyl]-2-methylphenol.

Molecular Properties

Compound Name4-[(1R)-1-aminoethyl]-2-methylphenol
PubChem CID59272894
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name4-[(1R)-1-aminoethyl]-2-methylphenol
SMILESCc1cc([C@@H](C)N)ccc1O
InChIInChI=1S/C9H13NO/c1-6-5-8(7(2)10)3-4-9(6)11/h3-5,7,11H,10H2,1-2H3/t7-/m1/s1
InChIKeyVWXKYOURUNGZBE-SSDOTTSWSA-N
XLogP1.72
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-amino-1-hydroxypropyl)-2-methylphenol;hydrochloride
CID 131882584
(1R)-1-(3,4-dimethylphenyl)ethanamine
CID 7022091
1-amino-1-(4-hydroxy-3-methylphenyl)propan-2-one
CID 55295295
4-[(1R)-1-aminoethyl]-2-bromophenol
CID 78938003
(2R)-2-amino-2-(4-hydroxy-3-methylphenyl)acetic acid
CID 130654274
4-[(1S)-1,2-diaminoethyl]-2-methylphenol;hydrochloride
CID 171213095
4-[(1S)-1-amino-2-methylbutyl]-2-methylphenol;hydrochloride
CID 171232746
4-(1-methoxyethyl)-2-methylphenol
CID 142839591
4-(1-aminoethyl)-2-(difluoromethyl)phenol
CID 84660904
4-[4-amino-3-(aminomethyl)butan-2-yl]-2-methylphenol
CID 83922958
4-(1-amino-3-hydroxypropyl)-2-methylphenol
CID 55282245
(1S)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 45072346

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-aminoethyl]-2-methylphenol?
The IUPAC name of 4-[(1R)-1-aminoethyl]-2-methylphenol (CID 59272894) is 4-[(1R)-1-aminoethyl]-2-methylphenol.
What is the SMILES notation for 4-[(1R)-1-aminoethyl]-2-methylphenol?
The canonical SMILES for 4-[(1R)-1-aminoethyl]-2-methylphenol is Cc1cc([C@@H](C)N)ccc1O.
What is the InChIKey of 4-[(1R)-1-aminoethyl]-2-methylphenol?
The InChIKey is VWXKYOURUNGZBE-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H13NO/c1-6-5-8(7(2)10)3-4-9(6)11/h3-5,7,11H,10H2,1-2H3/t7-/m1/s1.
What are the key properties of 4-[(1R)-1-aminoethyl]-2-methylphenol?
4-[(1R)-1-aminoethyl]-2-methylphenol has a molecular weight of 151.21 g/mol, XLogP of 1.72, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-aminoethyl]-2-methylphenol is sourced from PubChem (CID 59272894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).