1-[[(4-methoxyphenyl)methyl-methylamino]methyl]naphthalen-2-ol

C20H21NO2 — CID 2480244

IUPAC1-[[(4-methoxyphenyl)methyl-methylamino]methyl]naphthalen-2-ol
SMILESCOc1ccc(CN(C)Cc2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C20H21NO2/c1-21(13-15-7-10-17(23-2)11-8-15)14-19-18-6-4-3-5-16(18)9-12-20(19)22/h3-12,22H,13-14H2,1-2H3
InChIKeyUSRGFBQVNBTJOE-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.19
Rot. Bonds5

About 1-[[(4-methoxyphenyl)methyl-methylamino]methyl]naphthalen-2-ol

1-[[(4-methoxyphenyl)methyl-methylamino]methyl]naphthalen-2-ol (PubChem CID 2480244) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 1-[[(4-methoxyphenyl)methyl-methylamino]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[(4-methoxyphenyl)methyl-methylamino]methyl]naphthalen-2-ol
PubChem CID2480244
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name1-[[(4-methoxyphenyl)methyl-methylamino]methyl]naphthalen-2-ol
SMILESCOc1ccc(CN(C)Cc2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C20H21NO2/c1-21(13-15-7-10-17(23-2)11-8-15)14-19-18-6-4-3-5-16(18)9-12-20(19)22/h3-12,22H,13-14H2,1-2H3
InChIKeyUSRGFBQVNBTJOE-UHFFFAOYSA-N
XLogP4.19
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Dapoxetine Hydrochloride
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4'-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-ylmethyl)biphenyl-4-ol
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Frequently Asked Questions

What is the IUPAC name of 1-[[(4-methoxyphenyl)methyl-methylamino]methyl]naphthalen-2-ol?
The IUPAC name of 1-[[(4-methoxyphenyl)methyl-methylamino]methyl]naphthalen-2-ol (CID 2480244) is 1-[[(4-methoxyphenyl)methyl-methylamino]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[(4-methoxyphenyl)methyl-methylamino]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[[(4-methoxyphenyl)methyl-methylamino]methyl]naphthalen-2-ol is COc1ccc(CN(C)Cc2c(O)ccc3ccccc23)cc1.
What is the InChIKey of 1-[[(4-methoxyphenyl)methyl-methylamino]methyl]naphthalen-2-ol?
The InChIKey is USRGFBQVNBTJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-21(13-15-7-10-17(23-2)11-8-15)14-19-18-6-4-3-5-16(18)9-12-20(19)22/h3-12,22H,13-14H2,1-2H3.
What are the key properties of 1-[[(4-methoxyphenyl)methyl-methylamino]methyl]naphthalen-2-ol?
1-[[(4-methoxyphenyl)methyl-methylamino]methyl]naphthalen-2-ol has a molecular weight of 307.39 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-methoxyphenyl)methyl-methylamino]methyl]naphthalen-2-ol is sourced from PubChem (CID 2480244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).