1-(oxan-4-yloxy)-1-phenylpropan-2-amine

C14H21NO2 — CID 55017189

IUPAC1-(oxan-4-yloxy)-1-phenylpropan-2-amine
SMILESCC(N)C(OC1CCOCC1)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-11(15)14(12-5-3-2-4-6-12)17-13-7-9-16-10-8-13/h2-6,11,13-14H,7-10,15H2,1H3
InChIKeyHIUSWVFHVDKMEN-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.27
Rot. Bonds4

About 1-(oxan-4-yloxy)-1-phenylpropan-2-amine

1-(oxan-4-yloxy)-1-phenylpropan-2-amine (PubChem CID 55017189) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(oxan-4-yloxy)-1-phenylpropan-2-amine.

Molecular Properties

Compound Name1-(oxan-4-yloxy)-1-phenylpropan-2-amine
PubChem CID55017189
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-(oxan-4-yloxy)-1-phenylpropan-2-amine
SMILESCC(N)C(OC1CCOCC1)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-11(15)14(12-5-3-2-4-6-12)17-13-7-9-16-10-8-13/h2-6,11,13-14H,7-10,15H2,1H3
InChIKeyHIUSWVFHVDKMEN-UHFFFAOYSA-N
XLogP2.27
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyloxy-1-phenylpropan-2-amine
CID 55017556
1-(3-chlorophenyl)-1-(oxan-4-yloxy)propan-2-amine
CID 55019422
1-(2-methylphenyl)-1-(oxolan-3-yloxy)propan-2-amine
CID 63559231
N-[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]quinazolin-4-amine
CID 133398627
1-(2-bromophenyl)-1-(oxolan-3-yloxy)propan-2-amine
CID 55220620
N-[(1S,2S)-1-(oxan-4-yloxy)-1-phenylpropan-2-yl]piperidine-4-carboxamide
CID 129398410
1-(4-bromophenyl)-1-cyclobutyloxypropan-2-amine
CID 62115258
1-(3-fluorophenyl)-1-(4-methylcyclohexyl)oxypropan-2-amine
CID 55020306
N-methyl-2-(oxan-4-yloxy)-2-phenylethanamine
CID 62107330
1-cyclopentyloxy-1-(3-methylphenyl)propan-2-amine
CID 55020466
4-fluoro-2-nitro-N-[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]aniline
CID 133398628
3-[methyl-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]carbamoyl]amino]propanoic acid
CID 122007367

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yloxy)-1-phenylpropan-2-amine?
The IUPAC name of 1-(oxan-4-yloxy)-1-phenylpropan-2-amine (CID 55017189) is 1-(oxan-4-yloxy)-1-phenylpropan-2-amine.
What is the SMILES notation for 1-(oxan-4-yloxy)-1-phenylpropan-2-amine?
The canonical SMILES for 1-(oxan-4-yloxy)-1-phenylpropan-2-amine is CC(N)C(OC1CCOCC1)c1ccccc1.
What is the InChIKey of 1-(oxan-4-yloxy)-1-phenylpropan-2-amine?
The InChIKey is HIUSWVFHVDKMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11(15)14(12-5-3-2-4-6-12)17-13-7-9-16-10-8-13/h2-6,11,13-14H,7-10,15H2,1H3.
What are the key properties of 1-(oxan-4-yloxy)-1-phenylpropan-2-amine?
1-(oxan-4-yloxy)-1-phenylpropan-2-amine has a molecular weight of 235.33 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yloxy)-1-phenylpropan-2-amine is sourced from PubChem (CID 55017189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).