4-[amino(methoxy)methyl]-2-methoxyphenol

C9H13NO3 — CID 89378154

IUPAC4-[amino(methoxy)methyl]-2-methoxyphenol
SMILESCOc1cc(C(N)OC)ccc1O
InChIInChI=1S/C9H13NO3/c1-12-8-5-6(9(10)13-2)3-4-7(8)11/h3-5,9,11H,10H2,1-2H3
InChIKeySGTOHGWXUOXYRJ-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.00
Rot. Bonds3

About 4-[amino(methoxy)methyl]-2-methoxyphenol

4-[amino(methoxy)methyl]-2-methoxyphenol (PubChem CID 89378154) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-[amino(methoxy)methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[amino(methoxy)methyl]-2-methoxyphenol
PubChem CID89378154
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name4-[amino(methoxy)methyl]-2-methoxyphenol
SMILESCOc1cc(C(N)OC)ccc1O
InChIInChI=1S/C9H13NO3/c1-12-8-5-6(9(10)13-2)3-4-7(8)11/h3-5,9,11H,10H2,1-2H3
InChIKeySGTOHGWXUOXYRJ-UHFFFAOYSA-N
XLogP1.00
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-[amino(methoxy)methyl]-2-methoxyphenol 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

4-[(1R)-1-aminoethyl]-2-methoxyphenol
CID 42282043
4-[(1S)-1-aminoethyl]-2-methoxyphenol;hydrochloride
CID 171222640
4-[(1S)-1-amino-2-methylpropyl]-2-methoxyphenol
CID 55254286
4-[(1R)-1-aminopropyl]-2-methoxyphenol;hydrochloride
CID 171203078
4-[(1R)-1,2-diaminoethyl]-2-methoxyphenol;hydrochloride
CID 171222633
4-(1-amino-2,2,2-trifluoroethyl)-2-methoxyphenol
CID 77128126
4-[(1S)-1-amino-2-methylbutyl]-2-methoxyphenol;hydrochloride
CID 171222672
4-(1-amino-3-methylbutyl)-2-methoxyphenol
CID 112710189
2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 22339410
4-[(1R)-1-aminopentyl]-2-methoxyphenol;hydrochloride
CID 171203083
4-(1-aminobut-3-enyl)-2-methoxyphenol
CID 55295606
2-methoxy-4-(1-methylsulfanylethyl)phenol
CID 86126303

Frequently Asked Questions

What is the IUPAC name of 4-[amino(methoxy)methyl]-2-methoxyphenol?
The IUPAC name of 4-[amino(methoxy)methyl]-2-methoxyphenol (CID 89378154) is 4-[amino(methoxy)methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[amino(methoxy)methyl]-2-methoxyphenol?
The canonical SMILES for 4-[amino(methoxy)methyl]-2-methoxyphenol is COc1cc(C(N)OC)ccc1O.
What is the InChIKey of 4-[amino(methoxy)methyl]-2-methoxyphenol?
The InChIKey is SGTOHGWXUOXYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-12-8-5-6(9(10)13-2)3-4-7(8)11/h3-5,9,11H,10H2,1-2H3.
What are the key properties of 4-[amino(methoxy)methyl]-2-methoxyphenol?
4-[amino(methoxy)methyl]-2-methoxyphenol has a molecular weight of 183.21 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino(methoxy)methyl]-2-methoxyphenol is sourced from PubChem (CID 89378154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).