[4-[[benzyl(methyl)amino]methyl]phenyl]-naphthalen-2-ylmethanone

C26H23NO — CID 42598738

IUPAC[4-[[benzyl(methyl)amino]methyl]phenyl]-naphthalen-2-ylmethanone
SMILESCN(Cc1ccccc1)Cc1ccc(C(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C26H23NO/c1-27(18-20-7-3-2-4-8-20)19-21-11-13-23(14-12-21)26(28)25-16-15-22-9-5-6-10-24(22)17-25/h2-17H,18-19H2,1H3
InChIKeyOGJVKXNFFVJSHP-UHFFFAOYSA-N
MW365.48 g/mol
LogP5.70
Rot. Bonds6

About [4-[[benzyl(methyl)amino]methyl]phenyl]-naphthalen-2-ylmethanone

[4-[[benzyl(methyl)amino]methyl]phenyl]-naphthalen-2-ylmethanone (PubChem CID 42598738) has the molecular formula C26H23NO and a molecular weight of 365.48 g/mol. Its IUPAC name is [4-[[benzyl(methyl)amino]methyl]phenyl]-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name[4-[[benzyl(methyl)amino]methyl]phenyl]-naphthalen-2-ylmethanone
PubChem CID42598738
Molecular FormulaC26H23NO
Molecular Weight365.48 g/mol
Exact Mass365.18
IUPAC Name[4-[[benzyl(methyl)amino]methyl]phenyl]-naphthalen-2-ylmethanone
SMILESCN(Cc1ccccc1)Cc1ccc(C(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C26H23NO/c1-27(18-20-7-3-2-4-8-20)19-21-11-13-23(14-12-21)26(28)25-16-15-22-9-5-6-10-24(22)17-25/h2-17H,18-19H2,1H3
InChIKeyOGJVKXNFFVJSHP-UHFFFAOYSA-N
XLogP5.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.48
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-[[benzyl(methyl)amino]methyl]phenyl]-naphthalen-2-ylmethanone?
The IUPAC name of [4-[[benzyl(methyl)amino]methyl]phenyl]-naphthalen-2-ylmethanone (CID 42598738) is [4-[[benzyl(methyl)amino]methyl]phenyl]-naphthalen-2-ylmethanone.
What is the SMILES notation for [4-[[benzyl(methyl)amino]methyl]phenyl]-naphthalen-2-ylmethanone?
The canonical SMILES for [4-[[benzyl(methyl)amino]methyl]phenyl]-naphthalen-2-ylmethanone is CN(Cc1ccccc1)Cc1ccc(C(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of [4-[[benzyl(methyl)amino]methyl]phenyl]-naphthalen-2-ylmethanone?
The InChIKey is OGJVKXNFFVJSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO/c1-27(18-20-7-3-2-4-8-20)19-21-11-13-23(14-12-21)26(28)25-16-15-22-9-5-6-10-24(22)17-25/h2-17H,18-19H2,1H3.
What are the key properties of [4-[[benzyl(methyl)amino]methyl]phenyl]-naphthalen-2-ylmethanone?
[4-[[benzyl(methyl)amino]methyl]phenyl]-naphthalen-2-ylmethanone has a molecular weight of 365.48 g/mol, XLogP of 5.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[benzyl(methyl)amino]methyl]phenyl]-naphthalen-2-ylmethanone is sourced from PubChem (CID 42598738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).