amino-(2,5-dimethoxyphenyl)methanol

C9H13NO3 — CID 116939586

IUPACamino-(2,5-dimethoxyphenyl)methanol
SMILESCOc1ccc(OC)c(C(N)O)c1
InChIInChI=1S/C9H13NO3/c1-12-6-3-4-8(13-2)7(5-6)9(10)11/h3-5,9,11H,10H2,1-2H3
InChIKeyUASXAHCEPRNATE-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.65
Rot. Bonds3

About amino-(2,5-dimethoxyphenyl)methanol

amino-(2,5-dimethoxyphenyl)methanol (PubChem CID 116939586) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is amino-(2,5-dimethoxyphenyl)methanol.

Molecular Properties

Compound Nameamino-(2,5-dimethoxyphenyl)methanol
PubChem CID116939586
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Nameamino-(2,5-dimethoxyphenyl)methanol
SMILESCOc1ccc(OC)c(C(N)O)c1
InChIInChI=1S/C9H13NO3/c1-12-6-3-4-8(13-2)7(5-6)9(10)11/h3-5,9,11H,10H2,1-2H3
InChIKeyUASXAHCEPRNATE-UHFFFAOYSA-N
XLogP0.65
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 ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

amino-(2,4-dimethoxyphenyl)methanol
CID 116939607
(1R,2S)-1-amino-1-(2,5-dimethoxyphenyl)-3-methylbutan-2-ol
CID 171160952
(1S,2R)-1-amino-1-(2,5-dimethoxyphenyl)-3,3-dimethylbutan-2-ol
CID 171162385
(1R,2S)-1-amino-1-(2,5-dimethoxyphenyl)butan-2-ol
CID 96603983
amino-(2-methoxy-5-propan-2-ylphenyl)methanol
CID 116939602
(2S,3S)-3-(2,5-dimethoxyphenyl)butan-2-ol
CID 10420642
1-(2,5-dimethoxyphenyl)-2-methoxy-2-methylpropan-1-amine
CID 79197544
(2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine
CID 43197203
2,2-dichloro-1-(2,5-dimethoxyphenyl)ethanol
CID 164893079
(1R)-1-(2,5-dimethoxyphenyl)ethane-1,2-diol
CID 51666215
[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]azanium
CID 23238192
dimethyl 2-(2,5-dimethoxyphenyl)propanedioate
CID 94278774

Frequently Asked Questions

What is the IUPAC name of amino-(2,5-dimethoxyphenyl)methanol?
The IUPAC name of amino-(2,5-dimethoxyphenyl)methanol (CID 116939586) is amino-(2,5-dimethoxyphenyl)methanol.
What is the SMILES notation for amino-(2,5-dimethoxyphenyl)methanol?
The canonical SMILES for amino-(2,5-dimethoxyphenyl)methanol is COc1ccc(OC)c(C(N)O)c1.
What is the InChIKey of amino-(2,5-dimethoxyphenyl)methanol?
The InChIKey is UASXAHCEPRNATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-12-6-3-4-8(13-2)7(5-6)9(10)11/h3-5,9,11H,10H2,1-2H3.
What are the key properties of amino-(2,5-dimethoxyphenyl)methanol?
amino-(2,5-dimethoxyphenyl)methanol has a molecular weight of 183.21 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino-(2,5-dimethoxyphenyl)methanol is sourced from PubChem (CID 116939586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).