N-[[2-(2-methylphenyl)oxan-3-yl]methyl]ethanamine

C15H23NO — CID 79364725

IUPACN-[[2-(2-methylphenyl)oxan-3-yl]methyl]ethanamine
SMILESCCNCC1CCCOC1c1ccccc1C
InChIInChI=1S/C15H23NO/c1-3-16-11-13-8-6-10-17-15(13)14-9-5-4-7-12(14)2/h4-5,7,9,13,15-16H,3,6,8,10-11H2,1-2H3
InChIKeyASRABKFJRQVJCU-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.07
Rot. Bonds4

About N-[[2-(2-methylphenyl)oxan-3-yl]methyl]ethanamine

N-[[2-(2-methylphenyl)oxan-3-yl]methyl]ethanamine (PubChem CID 79364725) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is N-[[2-(2-methylphenyl)oxan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-methylphenyl)oxan-3-yl]methyl]ethanamine
PubChem CID79364725
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC NameN-[[2-(2-methylphenyl)oxan-3-yl]methyl]ethanamine
SMILESCCNCC1CCCOC1c1ccccc1C
InChIInChI=1S/C15H23NO/c1-3-16-11-13-8-6-10-17-15(13)14-9-5-4-7-12(14)2/h4-5,7,9,13,15-16H,3,6,8,10-11H2,1-2H3
InChIKeyASRABKFJRQVJCU-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylphenyl)oxan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-methylphenyl)oxan-3-yl]methyl]ethanamine (CID 79364725) is N-[[2-(2-methylphenyl)oxan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-methylphenyl)oxan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-methylphenyl)oxan-3-yl]methyl]ethanamine is CCNCC1CCCOC1c1ccccc1C.
What is the InChIKey of N-[[2-(2-methylphenyl)oxan-3-yl]methyl]ethanamine?
The InChIKey is ASRABKFJRQVJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-16-11-13-8-6-10-17-15(13)14-9-5-4-7-12(14)2/h4-5,7,9,13,15-16H,3,6,8,10-11H2,1-2H3.
What are the key properties of N-[[2-(2-methylphenyl)oxan-3-yl]methyl]ethanamine?
N-[[2-(2-methylphenyl)oxan-3-yl]methyl]ethanamine has a molecular weight of 233.36 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylphenyl)oxan-3-yl]methyl]ethanamine is sourced from PubChem (CID 79364725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).