(2-amino-3-methoxyphenyl)-(3,4-dimethylphenyl)methanol

C16H19NO2 — CID 107469517

IUPAC(2-amino-3-methoxyphenyl)-(3,4-dimethylphenyl)methanol
SMILESCOc1cccc(C(O)c2ccc(C)c(C)c2)c1N
InChIInChI=1S/C16H19NO2/c1-10-7-8-12(9-11(10)2)16(18)13-5-4-6-14(19-3)15(13)17/h4-9,16,18H,17H2,1-3H3
InChIKeyWFSQQBKMXXCPBU-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.98
Rot. Bonds3

About (2-amino-3-methoxyphenyl)-(3,4-dimethylphenyl)methanol

(2-amino-3-methoxyphenyl)-(3,4-dimethylphenyl)methanol (PubChem CID 107469517) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is (2-amino-3-methoxyphenyl)-(3,4-dimethylphenyl)methanol.

Molecular Properties

Compound Name(2-amino-3-methoxyphenyl)-(3,4-dimethylphenyl)methanol
PubChem CID107469517
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name(2-amino-3-methoxyphenyl)-(3,4-dimethylphenyl)methanol
SMILESCOc1cccc(C(O)c2ccc(C)c(C)c2)c1N
InChIInChI=1S/C16H19NO2/c1-10-7-8-12(9-11(10)2)16(18)13-5-4-6-14(19-3)15(13)17/h4-9,16,18H,17H2,1-3H3
InChIKeyWFSQQBKMXXCPBU-UHFFFAOYSA-N
XLogP2.98
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-3-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol
CID 107469497
(2-amino-3-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 107469372
(2-amino-3-methoxyphenyl)-(4-methoxy-2-methylphenyl)methanol
CID 107469490
(2-amino-3-methoxyphenyl)-quinolin-7-ylmethanol
CID 107469424
(2-fluoro-3-methoxyphenyl)-(3-methoxy-4-methylphenyl)methanol
CID 115828621
(2-amino-3-methoxyphenyl)-(3-cyclopropyloxyphenyl)methanol
CID 107469550
(4-fluoro-3-methylphenyl)-(2-methoxyphenyl)methanol
CID 60929843
(2-amino-3-methoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 107469597
(3-amino-2-methylphenyl)-(3,4-dimethoxyphenyl)methanol
CID 91678392
(R)-(2-amino-3-methoxyphenyl)-(2,6-difluorophenyl)methanol
CID 124565399
(4-bromo-3-methylphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82806466
(2,3-difluorophenyl)-(3-methoxy-4-methylphenyl)methanol
CID 115800901

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-methoxyphenyl)-(3,4-dimethylphenyl)methanol?
The IUPAC name of (2-amino-3-methoxyphenyl)-(3,4-dimethylphenyl)methanol (CID 107469517) is (2-amino-3-methoxyphenyl)-(3,4-dimethylphenyl)methanol.
What is the SMILES notation for (2-amino-3-methoxyphenyl)-(3,4-dimethylphenyl)methanol?
The canonical SMILES for (2-amino-3-methoxyphenyl)-(3,4-dimethylphenyl)methanol is COc1cccc(C(O)c2ccc(C)c(C)c2)c1N.
What is the InChIKey of (2-amino-3-methoxyphenyl)-(3,4-dimethylphenyl)methanol?
The InChIKey is WFSQQBKMXXCPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-10-7-8-12(9-11(10)2)16(18)13-5-4-6-14(19-3)15(13)17/h4-9,16,18H,17H2,1-3H3.
What are the key properties of (2-amino-3-methoxyphenyl)-(3,4-dimethylphenyl)methanol?
(2-amino-3-methoxyphenyl)-(3,4-dimethylphenyl)methanol has a molecular weight of 257.33 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-methoxyphenyl)-(3,4-dimethylphenyl)methanol is sourced from PubChem (CID 107469517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).