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

C16H19NO3 — CID 91678392

IUPAC(3-amino-2-methylphenyl)-(3,4-dimethoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2cccc(N)c2C)cc1OC
InChIInChI=1S/C16H19NO3/c1-10-12(5-4-6-13(10)17)16(18)11-7-8-14(19-2)15(9-11)20-3/h4-9,16,18H,17H2,1-3H3
InChIKeyKJIZMOAXASJYNY-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.68
Rot. Bonds4

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

(3-amino-2-methylphenyl)-(3,4-dimethoxyphenyl)methanol (PubChem CID 91678392) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is (3-amino-2-methylphenyl)-(3,4-dimethoxyphenyl)methanol.

Molecular Properties

Compound Name(3-amino-2-methylphenyl)-(3,4-dimethoxyphenyl)methanol
PubChem CID91678392
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name(3-amino-2-methylphenyl)-(3,4-dimethoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2cccc(N)c2C)cc1OC
InChIInChI=1S/C16H19NO3/c1-10-12(5-4-6-13(10)17)16(18)11-7-8-14(19-2)15(9-11)20-3/h4-9,16,18H,17H2,1-3H3
InChIKeyKJIZMOAXASJYNY-UHFFFAOYSA-N
XLogP2.68
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.68
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

(R)-(3-amino-2-methylphenyl)-(2,4-dimethoxyphenyl)methanol
CID 100803991
(R)-(3-amino-2-methylphenyl)-(4-phenylphenyl)methanol
CID 100804157
(S)-(3,4-dimethoxyphenyl)-phenylmethanol
CID 7154230
(2-amino-3-methoxyphenyl)-(3,4-dimethylphenyl)methanol
CID 107469517
(2-fluoro-3-methoxyphenyl)-(3-methoxy-4-methylphenyl)methanol
CID 115828621
1-benzothiophen-7-yl-(3,4-dimethoxyphenyl)methanol
CID 81131841
(3,4-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanol
CID 61100714
(S)-(2-aminophenyl)-(4-methylphenyl)methanol
CID 40526253
(2-bromo-5-methylphenyl)-(3,4-dimethoxyphenyl)methanol
CID 81111618
(4-amino-3-methoxyphenyl)-phenylmethanol
CID 67532906
(S)-(2-amino-5-fluorophenyl)-(3-methoxy-2-methylphenyl)methanol
CID 129394511
(R)-(3-amino-4-methoxyphenyl)-(2,5-dimethylphenyl)methanol
CID 100804058

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-methylphenyl)-(3,4-dimethoxyphenyl)methanol?
The IUPAC name of (3-amino-2-methylphenyl)-(3,4-dimethoxyphenyl)methanol (CID 91678392) is (3-amino-2-methylphenyl)-(3,4-dimethoxyphenyl)methanol.
What is the SMILES notation for (3-amino-2-methylphenyl)-(3,4-dimethoxyphenyl)methanol?
The canonical SMILES for (3-amino-2-methylphenyl)-(3,4-dimethoxyphenyl)methanol is COc1ccc(C(O)c2cccc(N)c2C)cc1OC.
What is the InChIKey of (3-amino-2-methylphenyl)-(3,4-dimethoxyphenyl)methanol?
The InChIKey is KJIZMOAXASJYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-10-12(5-4-6-13(10)17)16(18)11-7-8-14(19-2)15(9-11)20-3/h4-9,16,18H,17H2,1-3H3.
What are the key properties of (3-amino-2-methylphenyl)-(3,4-dimethoxyphenyl)methanol?
(3-amino-2-methylphenyl)-(3,4-dimethoxyphenyl)methanol has a molecular weight of 273.33 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-methylphenyl)-(3,4-dimethoxyphenyl)methanol is sourced from PubChem (CID 91678392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).