N-(oxan-3-ylmethyl)-3-phenoxypropan-1-amine

C15H23NO2 — CID 62935741

IUPACN-(oxan-3-ylmethyl)-3-phenoxypropan-1-amine
SMILESc1ccc(OCCCNCC2CCCOC2)cc1
InChIInChI=1S/C15H23NO2/c1-2-7-15(8-3-1)18-11-5-9-16-12-14-6-4-10-17-13-14/h1-3,7-8,14,16H,4-6,9-13H2
InChIKeyYNVCNXACDJKNBK-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.47
Rot. Bonds7

About N-(oxan-3-ylmethyl)-3-phenoxypropan-1-amine

N-(oxan-3-ylmethyl)-3-phenoxypropan-1-amine (PubChem CID 62935741) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-(oxan-3-ylmethyl)-3-phenoxypropan-1-amine.

Molecular Properties

Compound NameN-(oxan-3-ylmethyl)-3-phenoxypropan-1-amine
PubChem CID62935741
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-(oxan-3-ylmethyl)-3-phenoxypropan-1-amine
SMILESc1ccc(OCCCNCC2CCCOC2)cc1
InChIInChI=1S/C15H23NO2/c1-2-7-15(8-3-1)18-11-5-9-16-12-14-6-4-10-17-13-14/h1-3,7-8,14,16H,4-6,9-13H2
InChIKeyYNVCNXACDJKNBK-UHFFFAOYSA-N
XLogP2.47
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(oxolan-3-yl)ethyl]-3-phenoxypropan-1-amine
CID 102671422
2-(4-nitrophenoxy)-N-(oxan-3-ylmethyl)ethanamine
CID 61032109
3-ethoxy-N-(oxan-3-ylmethyl)propan-1-amine
CID 63738389
hexoxybenzene;(NE)-N-[1-(oxolan-3-ylmethylamino)pentan-3-ylidene]hydroxylamine
CID 145008745
N-[(3-chlorocyclohexyl)methyl]-2-phenoxyethanamine
CID 114146369
2-(3-ethoxyphenoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62583804
N-[(3-chlorocyclobutyl)methyl]-3-phenoxypropan-1-amine
CID 66005855
2-[(3S)-oxan-3-yl]-N-(3-pyridin-3-yloxypropyl)acetamide
CID 126425334
N-(3-phenoxypropyl)oxolan-3-amine
CID 63335382
3-fluoro-N-(oxan-3-ylmethyl)propan-1-amine
CID 81105564
N-(oxan-3-ylmethyl)butan-1-amine
CID 61020591
2-(3-ethylphenoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62597949

Frequently Asked Questions

What is the IUPAC name of N-(oxan-3-ylmethyl)-3-phenoxypropan-1-amine?
The IUPAC name of N-(oxan-3-ylmethyl)-3-phenoxypropan-1-amine (CID 62935741) is N-(oxan-3-ylmethyl)-3-phenoxypropan-1-amine.
What is the SMILES notation for N-(oxan-3-ylmethyl)-3-phenoxypropan-1-amine?
The canonical SMILES for N-(oxan-3-ylmethyl)-3-phenoxypropan-1-amine is c1ccc(OCCCNCC2CCCOC2)cc1.
What is the InChIKey of N-(oxan-3-ylmethyl)-3-phenoxypropan-1-amine?
The InChIKey is YNVCNXACDJKNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-2-7-15(8-3-1)18-11-5-9-16-12-14-6-4-10-17-13-14/h1-3,7-8,14,16H,4-6,9-13H2.
What are the key properties of N-(oxan-3-ylmethyl)-3-phenoxypropan-1-amine?
N-(oxan-3-ylmethyl)-3-phenoxypropan-1-amine has a molecular weight of 249.35 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-3-ylmethyl)-3-phenoxypropan-1-amine is sourced from PubChem (CID 62935741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).