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

C18H23NO — CID 79365816

IUPACN-[(2-naphthalen-1-yloxan-3-yl)methyl]ethanamine
SMILESCCNCC1CCCOC1c1cccc2ccccc12
InChIInChI=1S/C18H23NO/c1-2-19-13-15-9-6-12-20-18(15)17-11-5-8-14-7-3-4-10-16(14)17/h3-5,7-8,10-11,15,18-19H,2,6,9,12-13H2,1H3
InChIKeyTYLKMYTVWBUALF-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.92
Rot. Bonds4

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

N-[(2-naphthalen-1-yloxan-3-yl)methyl]ethanamine (PubChem CID 79365816) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[(2-naphthalen-1-yloxan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-naphthalen-1-yloxan-3-yl)methyl]ethanamine
PubChem CID79365816
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[(2-naphthalen-1-yloxan-3-yl)methyl]ethanamine
SMILESCCNCC1CCCOC1c1cccc2ccccc12
InChIInChI=1S/C18H23NO/c1-2-19-13-15-9-6-12-20-18(15)17-11-5-8-14-7-3-4-10-16(14)17/h3-5,7-8,10-11,15,18-19H,2,6,9,12-13H2,1H3
InChIKeyTYLKMYTVWBUALF-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-naphthalen-1-yloxan-3-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-naphthalen-1-yloxan-3-yl)methyl]ethanamine?
The IUPAC name of N-[(2-naphthalen-1-yloxan-3-yl)methyl]ethanamine (CID 79365816) is N-[(2-naphthalen-1-yloxan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-naphthalen-1-yloxan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-naphthalen-1-yloxan-3-yl)methyl]ethanamine is CCNCC1CCCOC1c1cccc2ccccc12.
What is the InChIKey of N-[(2-naphthalen-1-yloxan-3-yl)methyl]ethanamine?
The InChIKey is TYLKMYTVWBUALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-2-19-13-15-9-6-12-20-18(15)17-11-5-8-14-7-3-4-10-16(14)17/h3-5,7-8,10-11,15,18-19H,2,6,9,12-13H2,1H3.
What are the key properties of N-[(2-naphthalen-1-yloxan-3-yl)methyl]ethanamine?
N-[(2-naphthalen-1-yloxan-3-yl)methyl]ethanamine has a molecular weight of 269.39 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-naphthalen-1-yloxan-3-yl)methyl]ethanamine is sourced from PubChem (CID 79365816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).