1-[(2-amino-4,5-dimethoxyphenyl)methyl]naphthalen-2-ol

C19H19NO3 — CID 15684120

IUPAC1-[(2-amino-4,5-dimethoxyphenyl)methyl]naphthalen-2-ol
SMILESCOc1cc(N)c(Cc2c(O)ccc3ccccc23)cc1OC
InChIInChI=1S/C19H19NO3/c1-22-18-10-13(16(20)11-19(18)23-2)9-15-14-6-4-3-5-12(14)7-8-17(15)21/h3-8,10-11,21H,9,20H2,1-2H3
InChIKeyVWUHNJXMMSTEFZ-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.74
Rot. Bonds4

About 1-[(2-amino-4,5-dimethoxyphenyl)methyl]naphthalen-2-ol

1-[(2-amino-4,5-dimethoxyphenyl)methyl]naphthalen-2-ol (PubChem CID 15684120) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-[(2-amino-4,5-dimethoxyphenyl)methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(2-amino-4,5-dimethoxyphenyl)methyl]naphthalen-2-ol
PubChem CID15684120
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name1-[(2-amino-4,5-dimethoxyphenyl)methyl]naphthalen-2-ol
SMILESCOc1cc(N)c(Cc2c(O)ccc3ccccc23)cc1OC
InChIInChI=1S/C19H19NO3/c1-22-18-10-13(16(20)11-19(18)23-2)9-15-14-6-4-3-5-12(14)7-8-17(15)21/h3-8,10-11,21H,9,20H2,1-2H3
InChIKeyVWUHNJXMMSTEFZ-UHFFFAOYSA-N
XLogP3.74
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.74
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

2,3-dimethoxy-5-[(Z)-2-naphthalen-2-ylethenyl]aniline
CID 11174230
2,3-dimethoxy-5-[(E)-2-naphthalen-2-ylethenyl]aniline
CID 11301193
2-Naphthylamine, 5,6-dimethoxy-
CID 32149
(Z)-2-(4,5-Dimethoxy-2-nitro-phenyl)-3-naphthalen-1-yl-acrylonitrile
CID 1897695
10-[(3,4,5-Trimethoxyphenyl)diazenyl]anthracen-9-ol
CID 136068625
10-[(3-Methoxyphenyl)diazenyl]anthracen-9-ol
CID 136099232
6,7-Dimethoxy-1-naphthalenamine
CID 387180
4,5-dimethoxy-2-[(Z)-2-(4-methoxyphenyl)ethenyl]aniline
CID 16090837
Naphthoquinone 1-(1,3-benzodioxol-5-ylhydrazone)
CID 5085983
2-[(2S,3R)-4-(2-amino-4,5-dimethoxyphenyl)-2,3-dimethylbutyl]-4,5-dimethoxyaniline
CID 10916091
10-Amino-3-methoxyphenanthren-4-ol
CID 163194345
Bis(4-aminophenoxy) naphthalene
CID 21253701

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-4,5-dimethoxyphenyl)methyl]naphthalen-2-ol?
The IUPAC name of 1-[(2-amino-4,5-dimethoxyphenyl)methyl]naphthalen-2-ol (CID 15684120) is 1-[(2-amino-4,5-dimethoxyphenyl)methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(2-amino-4,5-dimethoxyphenyl)methyl]naphthalen-2-ol?
The canonical SMILES for 1-[(2-amino-4,5-dimethoxyphenyl)methyl]naphthalen-2-ol is COc1cc(N)c(Cc2c(O)ccc3ccccc23)cc1OC.
What is the InChIKey of 1-[(2-amino-4,5-dimethoxyphenyl)methyl]naphthalen-2-ol?
The InChIKey is VWUHNJXMMSTEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-22-18-10-13(16(20)11-19(18)23-2)9-15-14-6-4-3-5-12(14)7-8-17(15)21/h3-8,10-11,21H,9,20H2,1-2H3.
What are the key properties of 1-[(2-amino-4,5-dimethoxyphenyl)methyl]naphthalen-2-ol?
1-[(2-amino-4,5-dimethoxyphenyl)methyl]naphthalen-2-ol has a molecular weight of 309.37 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-4,5-dimethoxyphenyl)methyl]naphthalen-2-ol is sourced from PubChem (CID 15684120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).