2-[(1S)-1-amino-2-methoxyethyl]-5-methylphenol

C10H15NO2 — CID 55293424

IUPAC2-[(1S)-1-amino-2-methoxyethyl]-5-methylphenol
SMILESCOC[C@@H](N)c1ccc(C)cc1O
InChIInChI=1S/C10H15NO2/c1-7-3-4-8(10(12)5-7)9(11)6-13-2/h3-5,9,12H,6,11H2,1-2H3/t9-/m1/s1
InChIKeyXTCKIKDJEJFGJS-SECBINFHSA-N
MW181.23 g/mol
LogP1.35
Rot. Bonds3

About 2-[(1S)-1-amino-2-methoxyethyl]-5-methylphenol

2-[(1S)-1-amino-2-methoxyethyl]-5-methylphenol (PubChem CID 55293424) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 2-[(1S)-1-amino-2-methoxyethyl]-5-methylphenol.

Molecular Properties

Compound Name2-[(1S)-1-amino-2-methoxyethyl]-5-methylphenol
PubChem CID55293424
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name2-[(1S)-1-amino-2-methoxyethyl]-5-methylphenol
SMILESCOC[C@@H](N)c1ccc(C)cc1O
InChIInChI=1S/C10H15NO2/c1-7-3-4-8(10(12)5-7)9(11)6-13-2/h3-5,9,12H,6,11H2,1-2H3/t9-/m1/s1
InChIKeyXTCKIKDJEJFGJS-SECBINFHSA-N
XLogP1.35
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 ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(1S)-1,2-diaminoethyl]-5-methylphenol
CID 55278369
2-[(1S)-1-amino-2-hydroxyethyl]-5-methylphenol
CID 55277705
2-[(1S)-1-aminobutyl]-5-methylphenol;hydrochloride
CID 171232006
2-[(1R)-1-amino-3-methylbutyl]-5-methylphenol;hydrochloride
CID 171212407
ethyl (3R)-3-amino-3-(2-hydroxy-4-methylphenyl)propanoate;hydrochloride
CID 171212429
2-[(1S)-1-amino-3,3-difluoropropyl]-5-methylphenol;hydrochloride
CID 171313260
2-[(1R)-1-amino-4-hydroxybutyl]-5-methylphenol;hydrochloride
CID 171212431
2-[(1R)-1,4-diaminobutyl]-5-methylphenol;hydrochloride
CID 171212396
2-[(1S)-1-amino-3,3,3-trifluoropropyl]-5-methylphenol;hydrochloride
CID 171232014
4-amino-2-(1-amino-2-methoxyethyl)phenol
CID 55294234
4-[(1S)-1-amino-2-methoxyethyl]pyridin-3-ol
CID 55294329
2-(1-amino-2-methoxyethyl)-3,5-dimethylphenol
CID 130061720

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-amino-2-methoxyethyl]-5-methylphenol?
The IUPAC name of 2-[(1S)-1-amino-2-methoxyethyl]-5-methylphenol (CID 55293424) is 2-[(1S)-1-amino-2-methoxyethyl]-5-methylphenol.
What is the SMILES notation for 2-[(1S)-1-amino-2-methoxyethyl]-5-methylphenol?
The canonical SMILES for 2-[(1S)-1-amino-2-methoxyethyl]-5-methylphenol is COC[C@@H](N)c1ccc(C)cc1O.
What is the InChIKey of 2-[(1S)-1-amino-2-methoxyethyl]-5-methylphenol?
The InChIKey is XTCKIKDJEJFGJS-SECBINFHSA-N. The full InChI is InChI=1S/C10H15NO2/c1-7-3-4-8(10(12)5-7)9(11)6-13-2/h3-5,9,12H,6,11H2,1-2H3/t9-/m1/s1.
What are the key properties of 2-[(1S)-1-amino-2-methoxyethyl]-5-methylphenol?
2-[(1S)-1-amino-2-methoxyethyl]-5-methylphenol has a molecular weight of 181.23 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-amino-2-methoxyethyl]-5-methylphenol is sourced from PubChem (CID 55293424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).