7-methoxy-1-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]naphthalen-2-ol

C21H23NO2S — CID 27083420

IUPAC7-methoxy-1-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]naphthalen-2-ol
SMILESCOc1ccc2ccc(O)c(CN(C)Cc3ccc(SC)cc3)c2c1
InChIInChI=1S/C21H23NO2S/c1-22(13-15-4-9-18(25-3)10-5-15)14-20-19-12-17(24-2)8-6-16(19)7-11-21(20)23/h4-12,23H,13-14H2,1-3H3
InChIKeyWGBFVJGXNODOTI-UHFFFAOYSA-N
MW353.49 g/mol
LogP4.91
Rot. Bonds6

About 7-methoxy-1-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]naphthalen-2-ol

7-methoxy-1-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]naphthalen-2-ol (PubChem CID 27083420) has the molecular formula C21H23NO2S and a molecular weight of 353.49 g/mol. Its IUPAC name is 7-methoxy-1-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name7-methoxy-1-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]naphthalen-2-ol
PubChem CID27083420
Molecular FormulaC21H23NO2S
Molecular Weight353.49 g/mol
Exact Mass353.14
IUPAC Name7-methoxy-1-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]naphthalen-2-ol
SMILESCOc1ccc2ccc(O)c(CN(C)Cc3ccc(SC)cc3)c2c1
InChIInChI=1S/C21H23NO2S/c1-22(13-15-4-9-18(25-3)10-5-15)14-20-19-12-17(24-2)8-6-16(19)7-11-21(20)23/h4-12,23H,13-14H2,1-3H3
InChIKeyWGBFVJGXNODOTI-UHFFFAOYSA-N
XLogP4.91
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460
N-[(3-methoxyphenyl)methyl]-N-methyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
CID 78787985
N-[(2,6-dimethylphenyl)methyl]-1-(4-methoxyphenyl)-N-methylmethanamine
CID 143173593
1-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-7-methoxynaphthalen-2-ol
CID 51322615
1-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-7-methoxynaphthalen-2-ol
CID 9324179
7-methoxy-1-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]naphthalen-2-ol
CID 2672032
methyl 3-hydroxy-4-[[(4-methoxyphenyl)methyl-methylamino]methyl]naphthalene-2-carboxylate
CID 9239112
4-methoxy-N-(2-methylpropyl)-N-[(4-methylsulfanylphenyl)methyl]aniline
CID 154621249
N-[(4-methoxyphenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine
CID 134791729
5-[[benzyl(methyl)amino]methyl]-6-hydroxy-2-(4-methoxyphenyl)chromen-4-one
CID 1426435
1-[4-[(2-hydroxy-7-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]ethanone
CID 75412809
N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 122609914

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]naphthalen-2-ol?
The IUPAC name of 7-methoxy-1-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]naphthalen-2-ol (CID 27083420) is 7-methoxy-1-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]naphthalen-2-ol.
What is the SMILES notation for 7-methoxy-1-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]naphthalen-2-ol?
The canonical SMILES for 7-methoxy-1-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]naphthalen-2-ol is COc1ccc2ccc(O)c(CN(C)Cc3ccc(SC)cc3)c2c1.
What is the InChIKey of 7-methoxy-1-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]naphthalen-2-ol?
The InChIKey is WGBFVJGXNODOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2S/c1-22(13-15-4-9-18(25-3)10-5-15)14-20-19-12-17(24-2)8-6-16(19)7-11-21(20)23/h4-12,23H,13-14H2,1-3H3.
What are the key properties of 7-methoxy-1-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]naphthalen-2-ol?
7-methoxy-1-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]naphthalen-2-ol has a molecular weight of 353.49 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]naphthalen-2-ol is sourced from PubChem (CID 27083420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).