N-benzyl-1-(oxan-3-yl)ethanamine

C14H21NO — CID 130667431

IUPACN-benzyl-1-(oxan-3-yl)ethanamine
SMILESCC(NCc1ccccc1)C1CCCOC1
InChIInChI=1S/C14H21NO/c1-12(14-8-5-9-16-11-14)15-10-13-6-3-2-4-7-13/h2-4,6-7,12,14-15H,5,8-11H2,1H3
InChIKeyOVOUHYYCUWITOO-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.59
Rot. Bonds4

About N-benzyl-1-(oxan-3-yl)ethanamine

N-benzyl-1-(oxan-3-yl)ethanamine (PubChem CID 130667431) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-benzyl-1-(oxan-3-yl)ethanamine.

Molecular Properties

Compound NameN-benzyl-1-(oxan-3-yl)ethanamine
PubChem CID130667431
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-benzyl-1-(oxan-3-yl)ethanamine
SMILESCC(NCc1ccccc1)C1CCCOC1
InChIInChI=1S/C14H21NO/c1-12(14-8-5-9-16-11-14)15-10-13-6-3-2-4-7-13/h2-4,6-7,12,14-15H,5,8-11H2,1H3
InChIKeyOVOUHYYCUWITOO-UHFFFAOYSA-N
XLogP2.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(oxan-3-yl)ethanamine?
The IUPAC name of N-benzyl-1-(oxan-3-yl)ethanamine (CID 130667431) is N-benzyl-1-(oxan-3-yl)ethanamine.
What is the SMILES notation for N-benzyl-1-(oxan-3-yl)ethanamine?
The canonical SMILES for N-benzyl-1-(oxan-3-yl)ethanamine is CC(NCc1ccccc1)C1CCCOC1.
What is the InChIKey of N-benzyl-1-(oxan-3-yl)ethanamine?
The InChIKey is OVOUHYYCUWITOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-12(14-8-5-9-16-11-14)15-10-13-6-3-2-4-7-13/h2-4,6-7,12,14-15H,5,8-11H2,1H3.
What are the key properties of N-benzyl-1-(oxan-3-yl)ethanamine?
N-benzyl-1-(oxan-3-yl)ethanamine has a molecular weight of 219.33 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(oxan-3-yl)ethanamine is sourced from PubChem (CID 130667431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).