1-naphthalen-1-yl-N-[(3-pyridin-2-ylphenyl)methyl]ethanamine

C24H22N2 — CID 22391282

IUPAC1-naphthalen-1-yl-N-[(3-pyridin-2-ylphenyl)methyl]ethanamine
SMILESCC(NCc1cccc(-c2ccccn2)c1)c1cccc2ccccc12
InChIInChI=1S/C24H22N2/c1-18(22-13-7-10-20-9-2-3-12-23(20)22)26-17-19-8-6-11-21(16-19)24-14-4-5-15-25-24/h2-16,18,26H,17H2,1H3
InChIKeyLGAUOUIZCQFUHE-UHFFFAOYSA-N
MW338.45 g/mol
LogP5.75
Rot. Bonds5

About 1-naphthalen-1-yl-N-[(3-pyridin-2-ylphenyl)methyl]ethanamine

1-naphthalen-1-yl-N-[(3-pyridin-2-ylphenyl)methyl]ethanamine (PubChem CID 22391282) has the molecular formula C24H22N2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-naphthalen-1-yl-N-[(3-pyridin-2-ylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-naphthalen-1-yl-N-[(3-pyridin-2-ylphenyl)methyl]ethanamine
PubChem CID22391282
Molecular FormulaC24H22N2
Molecular Weight338.45 g/mol
Exact Mass338.18
IUPAC Name1-naphthalen-1-yl-N-[(3-pyridin-2-ylphenyl)methyl]ethanamine
SMILESCC(NCc1cccc(-c2ccccn2)c1)c1cccc2ccccc12
InChIInChI=1S/C24H22N2/c1-18(22-13-7-10-20-9-2-3-12-23(20)22)26-17-19-8-6-11-21(16-19)24-14-4-5-15-25-24/h2-16,18,26H,17H2,1H3
InChIKeyLGAUOUIZCQFUHE-UHFFFAOYSA-N
XLogP5.75
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.45
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-N-[(3-pyridin-2-ylphenyl)methyl]ethanamine?
The IUPAC name of 1-naphthalen-1-yl-N-[(3-pyridin-2-ylphenyl)methyl]ethanamine (CID 22391282) is 1-naphthalen-1-yl-N-[(3-pyridin-2-ylphenyl)methyl]ethanamine.
What is the SMILES notation for 1-naphthalen-1-yl-N-[(3-pyridin-2-ylphenyl)methyl]ethanamine?
The canonical SMILES for 1-naphthalen-1-yl-N-[(3-pyridin-2-ylphenyl)methyl]ethanamine is CC(NCc1cccc(-c2ccccn2)c1)c1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-yl-N-[(3-pyridin-2-ylphenyl)methyl]ethanamine?
The InChIKey is LGAUOUIZCQFUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2/c1-18(22-13-7-10-20-9-2-3-12-23(20)22)26-17-19-8-6-11-21(16-19)24-14-4-5-15-25-24/h2-16,18,26H,17H2,1H3.
What are the key properties of 1-naphthalen-1-yl-N-[(3-pyridin-2-ylphenyl)methyl]ethanamine?
1-naphthalen-1-yl-N-[(3-pyridin-2-ylphenyl)methyl]ethanamine has a molecular weight of 338.45 g/mol, XLogP of 5.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-N-[(3-pyridin-2-ylphenyl)methyl]ethanamine is sourced from PubChem (CID 22391282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).