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

C19H20N2O — CID 2396090

IUPAC1-[[ethyl(pyridin-4-ylmethyl)amino]methyl]naphthalen-2-ol
SMILESCCN(Cc1ccncc1)Cc1c(O)ccc2ccccc12
InChIInChI=1S/C19H20N2O/c1-2-21(13-15-9-11-20-12-10-15)14-18-17-6-4-3-5-16(17)7-8-19(18)22/h3-12,22H,2,13-14H2,1H3
InChIKeyWVELZHAEBOZGQP-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.96
Rot. Bonds5

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

1-[[ethyl(pyridin-4-ylmethyl)amino]methyl]naphthalen-2-ol (PubChem CID 2396090) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[[ethyl(pyridin-4-ylmethyl)amino]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[ethyl(pyridin-4-ylmethyl)amino]methyl]naphthalen-2-ol
PubChem CID2396090
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name1-[[ethyl(pyridin-4-ylmethyl)amino]methyl]naphthalen-2-ol
SMILESCCN(Cc1ccncc1)Cc1c(O)ccc2ccccc12
InChIInChI=1S/C19H20N2O/c1-2-21(13-15-9-11-20-12-10-15)14-18-17-6-4-3-5-16(17)7-8-19(18)22/h3-12,22H,2,13-14H2,1H3
InChIKeyWVELZHAEBOZGQP-UHFFFAOYSA-N
XLogP3.96
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.96
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-[[ethyl(pyridin-4-ylmethyl)amino]methyl]naphthalen-2-ol?
The IUPAC name of 1-[[ethyl(pyridin-4-ylmethyl)amino]methyl]naphthalen-2-ol (CID 2396090) is 1-[[ethyl(pyridin-4-ylmethyl)amino]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[ethyl(pyridin-4-ylmethyl)amino]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[[ethyl(pyridin-4-ylmethyl)amino]methyl]naphthalen-2-ol is CCN(Cc1ccncc1)Cc1c(O)ccc2ccccc12.
What is the InChIKey of 1-[[ethyl(pyridin-4-ylmethyl)amino]methyl]naphthalen-2-ol?
The InChIKey is WVELZHAEBOZGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-2-21(13-15-9-11-20-12-10-15)14-18-17-6-4-3-5-16(17)7-8-19(18)22/h3-12,22H,2,13-14H2,1H3.
What are the key properties of 1-[[ethyl(pyridin-4-ylmethyl)amino]methyl]naphthalen-2-ol?
1-[[ethyl(pyridin-4-ylmethyl)amino]methyl]naphthalen-2-ol has a molecular weight of 292.38 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[ethyl(pyridin-4-ylmethyl)amino]methyl]naphthalen-2-ol is sourced from PubChem (CID 2396090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).