1-[[methyl(oxan-4-ylmethyl)amino]methyl]naphthalen-2-ol

C18H23NO2 — CID 82964387

IUPAC1-[[methyl(oxan-4-ylmethyl)amino]methyl]naphthalen-2-ol
SMILESCN(Cc1c(O)ccc2ccccc12)CC1CCOCC1
InChIInChI=1S/C18H23NO2/c1-19(12-14-8-10-21-11-9-14)13-17-16-5-3-2-4-15(16)6-7-18(17)20/h2-7,14,20H,8-13H2,1H3
InChIKeyKXFCPMWZHNDRHF-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.40
Rot. Bonds4

About 1-[[methyl(oxan-4-ylmethyl)amino]methyl]naphthalen-2-ol

1-[[methyl(oxan-4-ylmethyl)amino]methyl]naphthalen-2-ol (PubChem CID 82964387) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[[methyl(oxan-4-ylmethyl)amino]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[methyl(oxan-4-ylmethyl)amino]methyl]naphthalen-2-ol
PubChem CID82964387
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-[[methyl(oxan-4-ylmethyl)amino]methyl]naphthalen-2-ol
SMILESCN(Cc1c(O)ccc2ccccc12)CC1CCOCC1
InChIInChI=1S/C18H23NO2/c1-19(12-14-8-10-21-11-9-14)13-17-16-5-3-2-4-15(16)6-7-18(17)20/h2-7,14,20H,8-13H2,1H3
InChIKeyKXFCPMWZHNDRHF-UHFFFAOYSA-N
XLogP3.40
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.40
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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Frequently Asked Questions

What is the IUPAC name of 1-[[methyl(oxan-4-ylmethyl)amino]methyl]naphthalen-2-ol?
The IUPAC name of 1-[[methyl(oxan-4-ylmethyl)amino]methyl]naphthalen-2-ol (CID 82964387) is 1-[[methyl(oxan-4-ylmethyl)amino]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[methyl(oxan-4-ylmethyl)amino]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[[methyl(oxan-4-ylmethyl)amino]methyl]naphthalen-2-ol is CN(Cc1c(O)ccc2ccccc12)CC1CCOCC1.
What is the InChIKey of 1-[[methyl(oxan-4-ylmethyl)amino]methyl]naphthalen-2-ol?
The InChIKey is KXFCPMWZHNDRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-19(12-14-8-10-21-11-9-14)13-17-16-5-3-2-4-15(16)6-7-18(17)20/h2-7,14,20H,8-13H2,1H3.
What are the key properties of 1-[[methyl(oxan-4-ylmethyl)amino]methyl]naphthalen-2-ol?
1-[[methyl(oxan-4-ylmethyl)amino]methyl]naphthalen-2-ol has a molecular weight of 285.39 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl(oxan-4-ylmethyl)amino]methyl]naphthalen-2-ol is sourced from PubChem (CID 82964387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).