(2-amino-3,4-dimethoxyphenyl)methanol

C9H13NO3 — CID 139735105

IUPAC(2-amino-3,4-dimethoxyphenyl)methanol
SMILESCOc1ccc(CO)c(N)c1OC
InChIInChI=1S/C9H13NO3/c1-12-7-4-3-6(5-11)8(10)9(7)13-2/h3-4,11H,5,10H2,1-2H3
InChIKeyUNEBSUFQQAPOMD-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.78
Rot. Bonds3

About (2-amino-3,4-dimethoxyphenyl)methanol

(2-amino-3,4-dimethoxyphenyl)methanol (PubChem CID 139735105) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is (2-amino-3,4-dimethoxyphenyl)methanol.

Molecular Properties

Compound Name(2-amino-3,4-dimethoxyphenyl)methanol
PubChem CID139735105
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name(2-amino-3,4-dimethoxyphenyl)methanol
SMILESCOc1ccc(CO)c(N)c1OC
InChIInChI=1S/C9H13NO3/c1-12-7-4-3-6(5-11)8(10)9(7)13-2/h3-4,11H,5,10H2,1-2H3
InChIKeyUNEBSUFQQAPOMD-UHFFFAOYSA-N
XLogP0.78
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 ≤ 50.78
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

(1,5-dimethoxynaphthalen-2-yl)methanol
CID 117310761
[3,4-dimethoxy-2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]methanol
CID 23044013
3-(2,3,4-trimethoxyphenyl)propan-1-ol
CID 11790895
[3,4-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]phenyl]methanol
CID 23043876
2,3,4-trimethoxyaniline
CID 15455622
2-amino-4-[(3-amino-4-hydroxy-2,5-dimethoxyphenyl)methyl]-3,6-dimethoxyphenol
CID 59194580
(4-amino-5-methoxy-1-methylindol-3-yl)methanol
CID 119090872
2-amino-6-methoxy-3-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol
CID 118422161
2,3,5,6-tetramethoxyaniline
CID 19093015
(2-(111C)methoxyphenyl)methanol
CID 59897789
2-(4-methoxynaphthalen-1-yl)ethanamine
CID 1251790
(3-chloro-2-fluoro-4-methoxyphenyl)methanol
CID 84662935

Frequently Asked Questions

What is the IUPAC name of (2-amino-3,4-dimethoxyphenyl)methanol?
The IUPAC name of (2-amino-3,4-dimethoxyphenyl)methanol (CID 139735105) is (2-amino-3,4-dimethoxyphenyl)methanol.
What is the SMILES notation for (2-amino-3,4-dimethoxyphenyl)methanol?
The canonical SMILES for (2-amino-3,4-dimethoxyphenyl)methanol is COc1ccc(CO)c(N)c1OC.
What is the InChIKey of (2-amino-3,4-dimethoxyphenyl)methanol?
The InChIKey is UNEBSUFQQAPOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-12-7-4-3-6(5-11)8(10)9(7)13-2/h3-4,11H,5,10H2,1-2H3.
What are the key properties of (2-amino-3,4-dimethoxyphenyl)methanol?
(2-amino-3,4-dimethoxyphenyl)methanol has a molecular weight of 183.21 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3,4-dimethoxyphenyl)methanol is sourced from PubChem (CID 139735105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).