2-(oxolan-2-ylmethylamino)-1-phenylpropan-1-one

C14H19NO2 — CID 82100049

IUPAC2-(oxolan-2-ylmethylamino)-1-phenylpropan-1-one
SMILESCC(NCC1CCCO1)C(=O)c1ccccc1
InChIInChI=1S/C14H19NO2/c1-11(15-10-13-8-5-9-17-13)14(16)12-6-3-2-4-7-12/h2-4,6-7,11,13,15H,5,8-10H2,1H3
InChIKeyXNDHHKOLCYABSH-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.03
Rot. Bonds5

About 2-(oxolan-2-ylmethylamino)-1-phenylpropan-1-one

2-(oxolan-2-ylmethylamino)-1-phenylpropan-1-one (PubChem CID 82100049) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethylamino)-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-(oxolan-2-ylmethylamino)-1-phenylpropan-1-one
PubChem CID82100049
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-(oxolan-2-ylmethylamino)-1-phenylpropan-1-one
SMILESCC(NCC1CCCO1)C(=O)c1ccccc1
InChIInChI=1S/C14H19NO2/c1-11(15-10-13-8-5-9-17-13)14(16)12-6-3-2-4-7-12/h2-4,6-7,11,13,15H,5,8-10H2,1H3
InChIKeyXNDHHKOLCYABSH-UHFFFAOYSA-N
XLogP2.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylphenyl)-2-(oxolan-2-ylmethylamino)propan-1-one
CID 82100237
1-(3-amino-4-ethoxyphenyl)-2-(oxolan-2-ylmethylamino)propan-1-one
CID 82258535
N-[(1S)-2,2,2-trichloro-1-[[(2S)-oxolan-2-yl]methylamino]ethyl]benzamide
CID 1048955
N-(4-methylphenyl)-2-(oxolan-2-ylmethylamino)propanamide
CID 60638599
1-(2-bromophenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 43179194
(3R)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
CID 1122236
2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]-1-phenylpropan-1-one
CID 62613157
(3S)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
CID 1122235
N-(oxolan-2-ylmethyl)-3-(1-phenylethylamino)propanamide
CID 109015820
(1S)-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine
CID 65163698
N-(oxan-2-ylmethyl)-4-phenylbutan-2-amine
CID 60688470
N-(oxolan-2-ylmethyl)-N'-(2-phenylpropyl)oxamide
CID 17201904

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethylamino)-1-phenylpropan-1-one?
The IUPAC name of 2-(oxolan-2-ylmethylamino)-1-phenylpropan-1-one (CID 82100049) is 2-(oxolan-2-ylmethylamino)-1-phenylpropan-1-one.
What is the SMILES notation for 2-(oxolan-2-ylmethylamino)-1-phenylpropan-1-one?
The canonical SMILES for 2-(oxolan-2-ylmethylamino)-1-phenylpropan-1-one is CC(NCC1CCCO1)C(=O)c1ccccc1.
What is the InChIKey of 2-(oxolan-2-ylmethylamino)-1-phenylpropan-1-one?
The InChIKey is XNDHHKOLCYABSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11(15-10-13-8-5-9-17-13)14(16)12-6-3-2-4-7-12/h2-4,6-7,11,13,15H,5,8-10H2,1H3.
What are the key properties of 2-(oxolan-2-ylmethylamino)-1-phenylpropan-1-one?
2-(oxolan-2-ylmethylamino)-1-phenylpropan-1-one has a molecular weight of 233.31 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethylamino)-1-phenylpropan-1-one is sourced from PubChem (CID 82100049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).