5-amino-6-methoxy-2-[(3,4,5-trimethoxyphenyl)methyl]naphthalen-1-ol

C21H23NO5 — CID 155528998

IUPAC5-amino-6-methoxy-2-[(3,4,5-trimethoxyphenyl)methyl]naphthalen-1-ol
SMILESCOc1cc(Cc2ccc3c(N)c(OC)ccc3c2O)cc(OC)c1OC
InChIInChI=1S/C21H23NO5/c1-24-16-8-7-15-14(19(16)22)6-5-13(20(15)23)9-12-10-17(25-2)21(27-4)18(11-12)26-3/h5-8,10-11,23H,9,22H2,1-4H3
InChIKeyXAAWNAIVKBOLBZ-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.75
Rot. Bonds6

About 5-amino-6-methoxy-2-[(3,4,5-trimethoxyphenyl)methyl]naphthalen-1-ol

5-amino-6-methoxy-2-[(3,4,5-trimethoxyphenyl)methyl]naphthalen-1-ol (PubChem CID 155528998) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is 5-amino-6-methoxy-2-[(3,4,5-trimethoxyphenyl)methyl]naphthalen-1-ol.

Molecular Properties

Compound Name5-amino-6-methoxy-2-[(3,4,5-trimethoxyphenyl)methyl]naphthalen-1-ol
PubChem CID155528998
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Name5-amino-6-methoxy-2-[(3,4,5-trimethoxyphenyl)methyl]naphthalen-1-ol
SMILESCOc1cc(Cc2ccc3c(N)c(OC)ccc3c2O)cc(OC)c1OC
InChIInChI=1S/C21H23NO5/c1-24-16-8-7-15-14(19(16)22)6-5-13(20(15)23)9-12-10-17(25-2)21(27-4)18(11-12)26-3/h5-8,10-11,23H,9,22H2,1-4H3
InChIKeyXAAWNAIVKBOLBZ-UHFFFAOYSA-N
XLogP3.75
TPSA83.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-Methoxy-5-(3,4,5-trimethoxyphenyl)-7,8-dihydronaphthalen-1-amine
CID 9884409
2-methoxy-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-amine
CID 69669073
N-[2-(2-hydroxy-3,4-dimethoxyphenyl)-6,7-dimethoxynaphthalen-1-yl]-N-methylformamide
CID 5321312
1,8-Dimethoxy-10-nitrosoanthracen-9-ol
CID 46855009
5-(3,5-Dimethoxyphenyl)-2-methoxy-7,8-dihydronaphthalen-1-amine
CID 60144712
2-Methoxy-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 60144864
2-Methoxy-5-(3,4,5-trimethoxyphenyl)naphthalen-1-amine
CID 60145019
2-methoxy-5-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-1-amine;hydrochloride
CID 90665366
7-methoxy-4-(3,4,5-trimethoxyphenyl)-2H-chromen-8-amine
CID 118726861
(1E,2S)-1-[(3-amino-4-methoxyphenyl)methylidene]-5,6,7-trimethoxy-3,4-dihydro-2H-naphthalen-2-ol
CID 118732761
(1E,2R)-1-[(3-amino-4-methoxyphenyl)methylidene]-5,6,7-trimethoxy-3,4-dihydro-2H-naphthalen-2-ol
CID 118732768
[3-Amino-6,7-dimethoxy-1-(3,4,5-trimethoxy-phenyl)-naphthalen-2-yl]-methanol
CID 10739699

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-methoxy-2-[(3,4,5-trimethoxyphenyl)methyl]naphthalen-1-ol?
The IUPAC name of 5-amino-6-methoxy-2-[(3,4,5-trimethoxyphenyl)methyl]naphthalen-1-ol (CID 155528998) is 5-amino-6-methoxy-2-[(3,4,5-trimethoxyphenyl)methyl]naphthalen-1-ol.
What is the SMILES notation for 5-amino-6-methoxy-2-[(3,4,5-trimethoxyphenyl)methyl]naphthalen-1-ol?
The canonical SMILES for 5-amino-6-methoxy-2-[(3,4,5-trimethoxyphenyl)methyl]naphthalen-1-ol is COc1cc(Cc2ccc3c(N)c(OC)ccc3c2O)cc(OC)c1OC.
What is the InChIKey of 5-amino-6-methoxy-2-[(3,4,5-trimethoxyphenyl)methyl]naphthalen-1-ol?
The InChIKey is XAAWNAIVKBOLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5/c1-24-16-8-7-15-14(19(16)22)6-5-13(20(15)23)9-12-10-17(25-2)21(27-4)18(11-12)26-3/h5-8,10-11,23H,9,22H2,1-4H3.
What are the key properties of 5-amino-6-methoxy-2-[(3,4,5-trimethoxyphenyl)methyl]naphthalen-1-ol?
5-amino-6-methoxy-2-[(3,4,5-trimethoxyphenyl)methyl]naphthalen-1-ol has a molecular weight of 369.42 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-methoxy-2-[(3,4,5-trimethoxyphenyl)methyl]naphthalen-1-ol is sourced from PubChem (CID 155528998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).