2-[(1R)-1-aminoethyl]-4-(methoxymethyl)phenol

C10H15NO2 — CID 55262532

IUPAC2-[(1R)-1-aminoethyl]-4-(methoxymethyl)phenol
SMILESCOCc1ccc(O)c([C@@H](C)N)c1
InChIInChI=1S/C10H15NO2/c1-7(11)9-5-8(6-13-2)3-4-10(9)12/h3-5,7,12H,6,11H2,1-2H3/t7-/m1/s1
InChIKeyGGSLKXCSLKMLDK-SSDOTTSWSA-N
MW181.23 g/mol
LogP1.56
Rot. Bonds3

About 2-[(1R)-1-aminoethyl]-4-(methoxymethyl)phenol

2-[(1R)-1-aminoethyl]-4-(methoxymethyl)phenol (PubChem CID 55262532) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 2-[(1R)-1-aminoethyl]-4-(methoxymethyl)phenol.

Molecular Properties

Compound Name2-[(1R)-1-aminoethyl]-4-(methoxymethyl)phenol
PubChem CID55262532
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name2-[(1R)-1-aminoethyl]-4-(methoxymethyl)phenol
SMILESCOCc1ccc(O)c([C@@H](C)N)c1
InChIInChI=1S/C10H15NO2/c1-7(11)9-5-8(6-13-2)3-4-10(9)12/h3-5,7,12H,6,11H2,1-2H3/t7-/m1/s1
InChIKeyGGSLKXCSLKMLDK-SSDOTTSWSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(1R)-1-aminoethyl]-4-(methoxymethyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-aminopropan-2-yl)-4-(methoxymethyl)phenol
CID 83879401
2-(1-aminoethyl)-4-(2,2-dimethylpropyl)phenol
CID 117296793
2-(1-aminoethyl)-4-ethoxyphenol
CID 19748523
4-(aminooxymethyl)-2-(1-fluoroethyl)phenol
CID 117280118
2-amino-2-[2-methoxy-5-(methoxymethyl)phenyl]ethanol
CID 83885403
2-[(1S)-1-aminoethyl]-4-sulfanylphenol
CID 130635425
3-amino-3-[2-methoxy-5-(methoxymethyl)phenyl]propanoic acid
CID 117350559
2-[(1S)-1-aminoethyl]-4-tert-butylphenol
CID 95421722
2-(1-aminoethyl)-4-chlorophenol;hydrochloride
CID 146014077
(1R)-1-[2-[3-(methoxymethyl)phenoxy]phenyl]ethanamine
CID 63986581
2-[(2R)-azetidin-2-yl]-4-(methoxymethyl)phenol
CID 55262268
2-[2-methoxy-5-(methoxymethyl)phenyl]propan-1-amine
CID 83884513

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-aminoethyl]-4-(methoxymethyl)phenol?
The IUPAC name of 2-[(1R)-1-aminoethyl]-4-(methoxymethyl)phenol (CID 55262532) is 2-[(1R)-1-aminoethyl]-4-(methoxymethyl)phenol.
What is the SMILES notation for 2-[(1R)-1-aminoethyl]-4-(methoxymethyl)phenol?
The canonical SMILES for 2-[(1R)-1-aminoethyl]-4-(methoxymethyl)phenol is COCc1ccc(O)c([C@@H](C)N)c1.
What is the InChIKey of 2-[(1R)-1-aminoethyl]-4-(methoxymethyl)phenol?
The InChIKey is GGSLKXCSLKMLDK-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H15NO2/c1-7(11)9-5-8(6-13-2)3-4-10(9)12/h3-5,7,12H,6,11H2,1-2H3/t7-/m1/s1.
What are the key properties of 2-[(1R)-1-aminoethyl]-4-(methoxymethyl)phenol?
2-[(1R)-1-aminoethyl]-4-(methoxymethyl)phenol has a molecular weight of 181.23 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-aminoethyl]-4-(methoxymethyl)phenol is sourced from PubChem (CID 55262532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).