1-(6-amino-2,3,4-trimethylphenyl)-3-methoxynaphthalen-2-ol

C20H21NO2 — CID 158265528

IUPAC1-(6-amino-2,3,4-trimethylphenyl)-3-methoxynaphthalen-2-ol
SMILESCOc1cc2ccccc2c(-c2c(N)cc(C)c(C)c2C)c1O
InChIInChI=1S/C20H21NO2/c1-11-9-16(21)18(13(3)12(11)2)19-15-8-6-5-7-14(15)10-17(23-4)20(19)22/h5-10,22H,21H2,1-4H3
InChIKeyIXVQEZPBIAMCFR-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.73
Rot. Bonds2

About 1-(6-amino-2,3,4-trimethylphenyl)-3-methoxynaphthalen-2-ol

1-(6-amino-2,3,4-trimethylphenyl)-3-methoxynaphthalen-2-ol (PubChem CID 158265528) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 1-(6-amino-2,3,4-trimethylphenyl)-3-methoxynaphthalen-2-ol.

Molecular Properties

Compound Name1-(6-amino-2,3,4-trimethylphenyl)-3-methoxynaphthalen-2-ol
PubChem CID158265528
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name1-(6-amino-2,3,4-trimethylphenyl)-3-methoxynaphthalen-2-ol
SMILESCOc1cc2ccccc2c(-c2c(N)cc(C)c(C)c2C)c1O
InChIInChI=1S/C20H21NO2/c1-11-9-16(21)18(13(3)12(11)2)19-15-8-6-5-7-14(15)10-17(23-4)20(19)22/h5-10,22H,21H2,1-4H3
InChIKeyIXVQEZPBIAMCFR-UHFFFAOYSA-N
XLogP4.73
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.73
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

3-methoxy-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol
CID 159220371
3-(2-hydroxy-3,5-dimethoxyphenyl)-1-[2-hydroxy-3-(2-hydroxy-3,5-dimethoxyphenyl)naphthalen-1-yl]naphthalen-2-ol
CID 71141860
3-(2-methoxy-6-methylphenyl)-1,2-dimethylnaphthalene
CID 102027200
3-(5-tert-butyl-2-methoxyphenyl)-1-[3-(5-tert-butyl-2-methoxyphenyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol
CID 11342498
1-(2,3-dimethoxynaphthalen-1-yl)-4-[4-[4-[4-[4-[4-(2,3-dimethoxynaphthalen-1-yl)-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalene
CID 102019300
3-methoxy-1-methyl-2-phenylnaphthalene
CID 71079447
3-bromo-1-(2-hydroxy-3-methoxy-5-methylphenyl)naphthalen-2-ol
CID 134955568
2-ethyl-3-methoxynaphthalen-1-ol
CID 14616011
3,5-dimethoxy-2-(2-methylnaphthalen-1-yl)phenol;ethane
CID 142924740
3-methoxy-1-prop-2-enylnaphthalen-2-ol
CID 130034062
2,4-dimethoxynaphthalen-1-ol
CID 12563547
4-amino-6-methoxy-2,3-dimethylphenol
CID 58463229

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-2,3,4-trimethylphenyl)-3-methoxynaphthalen-2-ol?
The IUPAC name of 1-(6-amino-2,3,4-trimethylphenyl)-3-methoxynaphthalen-2-ol (CID 158265528) is 1-(6-amino-2,3,4-trimethylphenyl)-3-methoxynaphthalen-2-ol.
What is the SMILES notation for 1-(6-amino-2,3,4-trimethylphenyl)-3-methoxynaphthalen-2-ol?
The canonical SMILES for 1-(6-amino-2,3,4-trimethylphenyl)-3-methoxynaphthalen-2-ol is COc1cc2ccccc2c(-c2c(N)cc(C)c(C)c2C)c1O.
What is the InChIKey of 1-(6-amino-2,3,4-trimethylphenyl)-3-methoxynaphthalen-2-ol?
The InChIKey is IXVQEZPBIAMCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-11-9-16(21)18(13(3)12(11)2)19-15-8-6-5-7-14(15)10-17(23-4)20(19)22/h5-10,22H,21H2,1-4H3.
What are the key properties of 1-(6-amino-2,3,4-trimethylphenyl)-3-methoxynaphthalen-2-ol?
1-(6-amino-2,3,4-trimethylphenyl)-3-methoxynaphthalen-2-ol has a molecular weight of 307.39 g/mol, XLogP of 4.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-2,3,4-trimethylphenyl)-3-methoxynaphthalen-2-ol is sourced from PubChem (CID 158265528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).