5-amino-2,4-dimethoxy-3-methylphenol

C9H13NO3 — CID 11041382

IUPAC5-amino-2,4-dimethoxy-3-methylphenol
SMILESCOc1c(N)cc(O)c(OC)c1C
InChIInChI=1S/C9H13NO3/c1-5-8(12-2)6(10)4-7(11)9(5)13-3/h4,11H,10H2,1-3H3
InChIKeyYRDPMUIJYTVWLI-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.30
Rot. Bonds2

About 5-amino-2,4-dimethoxy-3-methylphenol

5-amino-2,4-dimethoxy-3-methylphenol (PubChem CID 11041382) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 5-amino-2,4-dimethoxy-3-methylphenol.

Molecular Properties

Compound Name5-amino-2,4-dimethoxy-3-methylphenol
PubChem CID11041382
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name5-amino-2,4-dimethoxy-3-methylphenol
SMILESCOc1c(N)cc(O)c(OC)c1C
InChIInChI=1S/C9H13NO3/c1-5-8(12-2)6(10)4-7(11)9(5)13-3/h4,11H,10H2,1-3H3
InChIKeyYRDPMUIJYTVWLI-UHFFFAOYSA-N
XLogP1.30
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-[(Z)-2-(2-amino-3,4,5-trimethoxyphenyl)ethenyl]-2-methoxyphenol
CID 16090838
2,4,5-Trimethoxyaniline
CID 12410138
2,4,5-Trimethoxy-3-methylaniline
CID 23250125
6-Amino-4,5,14,15,16-pentamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaen-3-ol
CID 168269151
2-Amino-4,5-dimethoxyphenol hydrochloride
CID 21492629
2-(Hydroxymethyl)-6-methoxy-4-[(3,4,5-trimethoxyphenyl)diazenyl]phenol
CID 145952998
Rhodoquinonol-9
CID 134160348
2-Amino-4,5-dimethoxyphenol
CID 13408824
4-Amino-2-methoxy-6-methylphenol
CID 76316
Phenol, 4-amino-2-methoxy-6-methyl-, hydrochloride (1:1)
CID 76315
6-Amino-2,3-dimethoxyphenol
CID 13068498
Amino-eugenol
CID 13408826

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-dimethoxy-3-methylphenol?
The IUPAC name of 5-amino-2,4-dimethoxy-3-methylphenol (CID 11041382) is 5-amino-2,4-dimethoxy-3-methylphenol.
What is the SMILES notation for 5-amino-2,4-dimethoxy-3-methylphenol?
The canonical SMILES for 5-amino-2,4-dimethoxy-3-methylphenol is COc1c(N)cc(O)c(OC)c1C.
What is the InChIKey of 5-amino-2,4-dimethoxy-3-methylphenol?
The InChIKey is YRDPMUIJYTVWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-5-8(12-2)6(10)4-7(11)9(5)13-3/h4,11H,10H2,1-3H3.
What are the key properties of 5-amino-2,4-dimethoxy-3-methylphenol?
5-amino-2,4-dimethoxy-3-methylphenol has a molecular weight of 183.21 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-dimethoxy-3-methylphenol is sourced from PubChem (CID 11041382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).