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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Related Compounds

N-[(4-chlorophenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655135
N-[(3-chlorophenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655120
N-[(5-ethyl-2-pyridinyl)methyl]-1-(oxan-3-yl)ethanamine
CID 122151355
cis-(1R,2R)-N-[1-(oxan-3-yl)ethyl]-2-phenylcyclopropan-1-amine
CID 167856974
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-(oxolan-3-yl)ethanamine
CID 104696520
N-[(4-butoxyphenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655195
(1R)-N-benzyl-1-[(3R,5S)-3,5-dimethylcyclohexyl]ethanamine
CID 125423706
N-benzyl-1-pyrrolidin-3-ylethanamine
CID 67740101
2-(benzylamino)-2-(oxolan-3-yl)acetic acid
CID 54889756
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(oxolan-3-yl)ethanamine
CID 115655111
(1S)-1-cyclopentyl-N-[(4-ethylphenyl)methyl]ethanamine
CID 81386101
(1S)-1-cyclobutyl-N-[(4-methylphenyl)methyl]ethanamine
CID 118957385

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).