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

C16H19NO — CID 116870558

IUPACN-[(3-naphthalen-2-yloxetan-3-yl)methyl]ethanamine
SMILESCCNCC1(c2ccc3ccccc3c2)COC1
InChIInChI=1S/C16H19NO/c1-2-17-10-16(11-18-12-16)15-8-7-13-5-3-4-6-14(13)9-15/h3-9,17H,2,10-12H2,1H3
InChIKeyWOIRCGFRBVNNMH-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.72
Rot. Bonds4

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

N-[(3-naphthalen-2-yloxetan-3-yl)methyl]ethanamine (PubChem CID 116870558) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[(3-naphthalen-2-yloxetan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-naphthalen-2-yloxetan-3-yl)methyl]ethanamine
PubChem CID116870558
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC NameN-[(3-naphthalen-2-yloxetan-3-yl)methyl]ethanamine
SMILESCCNCC1(c2ccc3ccccc3c2)COC1
InChIInChI=1S/C16H19NO/c1-2-17-10-16(11-18-12-16)15-8-7-13-5-3-4-6-14(13)9-15/h3-9,17H,2,10-12H2,1H3
InChIKeyWOIRCGFRBVNNMH-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-naphthalen-2-yloxetan-3-yl)methyl]ethanamine?
The IUPAC name of N-[(3-naphthalen-2-yloxetan-3-yl)methyl]ethanamine (CID 116870558) is N-[(3-naphthalen-2-yloxetan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-naphthalen-2-yloxetan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-naphthalen-2-yloxetan-3-yl)methyl]ethanamine is CCNCC1(c2ccc3ccccc3c2)COC1.
What is the InChIKey of N-[(3-naphthalen-2-yloxetan-3-yl)methyl]ethanamine?
The InChIKey is WOIRCGFRBVNNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-2-17-10-16(11-18-12-16)15-8-7-13-5-3-4-6-14(13)9-15/h3-9,17H,2,10-12H2,1H3.
What are the key properties of N-[(3-naphthalen-2-yloxetan-3-yl)methyl]ethanamine?
N-[(3-naphthalen-2-yloxetan-3-yl)methyl]ethanamine has a molecular weight of 241.33 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-naphthalen-2-yloxetan-3-yl)methyl]ethanamine is sourced from PubChem (CID 116870558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).