(2-amino-3-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol

C16H19NO4 — CID 107469497

IUPAC(2-amino-3-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol
SMILESCOc1cc(OC)cc(C(O)c2cccc(OC)c2N)c1
InChIInChI=1S/C16H19NO4/c1-19-11-7-10(8-12(9-11)20-2)16(18)13-5-4-6-14(21-3)15(13)17/h4-9,16,18H,17H2,1-3H3
InChIKeyWAIKPOVADYATRK-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.38
Rot. Bonds5

About (2-amino-3-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol

(2-amino-3-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol (PubChem CID 107469497) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is (2-amino-3-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol.

Molecular Properties

Compound Name(2-amino-3-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol
PubChem CID107469497
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name(2-amino-3-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol
SMILESCOc1cc(OC)cc(C(O)c2cccc(OC)c2N)c1
InChIInChI=1S/C16H19NO4/c1-19-11-7-10(8-12(9-11)20-2)16(18)13-5-4-6-14(21-3)15(13)17/h4-9,16,18H,17H2,1-3H3
InChIKeyWAIKPOVADYATRK-UHFFFAOYSA-N
XLogP2.38
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-3-methoxyphenyl)-(4-methoxy-2-methylphenyl)methanol
CID 107469490
(2-amino-3-methoxyphenyl)-(3,4-dimethylphenyl)methanol
CID 107469517
(2-amino-3-methoxyphenyl)-(3-cyclopropyloxyphenyl)methanol
CID 107469550
(2-amino-3-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 107469372
(2-amino-3-methoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 107469597
(R)-(2-amino-3-methoxyphenyl)-(2,6-difluorophenyl)methanol
CID 124565399
(2-amino-3-methoxyphenyl)-quinolin-7-ylmethanol
CID 107469424
(4-chloro-2-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol
CID 115821652
(2-amino-3-methoxyphenyl)-(2,3,4-trifluorophenyl)methanol
CID 107469586
(3,5-dimethoxyphenyl)-(3-methoxy-4-pyridinyl)methanol
CID 105066374
(3-methoxyphenyl)-(2,4,5-trimethylphenyl)methanol
CID 64985249
1-(2-amino-3-methoxyphenyl)propane-1,3-diol
CID 105450647

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol?
The IUPAC name of (2-amino-3-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol (CID 107469497) is (2-amino-3-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol.
What is the SMILES notation for (2-amino-3-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol?
The canonical SMILES for (2-amino-3-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol is COc1cc(OC)cc(C(O)c2cccc(OC)c2N)c1.
What is the InChIKey of (2-amino-3-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol?
The InChIKey is WAIKPOVADYATRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-19-11-7-10(8-12(9-11)20-2)16(18)13-5-4-6-14(21-3)15(13)17/h4-9,16,18H,17H2,1-3H3.
What are the key properties of (2-amino-3-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol?
(2-amino-3-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol has a molecular weight of 289.33 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol is sourced from PubChem (CID 107469497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).