2-[(5,5-dimethyloxolan-2-yl)methylamino]-3-phenylpropan-1-ol

C16H25NO2 — CID 116521447

IUPAC2-[(5,5-dimethyloxolan-2-yl)methylamino]-3-phenylpropan-1-ol
SMILESCC1(C)CCC(CNC(CO)Cc2ccccc2)O1
InChIInChI=1S/C16H25NO2/c1-16(2)9-8-15(19-16)11-17-14(12-18)10-13-6-4-3-5-7-13/h3-7,14-15,17-18H,8-12H2,1-2H3
InChIKeyRXWPJTBSFQVJGG-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.14
Rot. Bonds6

About 2-[(5,5-dimethyloxolan-2-yl)methylamino]-3-phenylpropan-1-ol

2-[(5,5-dimethyloxolan-2-yl)methylamino]-3-phenylpropan-1-ol (PubChem CID 116521447) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[(5,5-dimethyloxolan-2-yl)methylamino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[(5,5-dimethyloxolan-2-yl)methylamino]-3-phenylpropan-1-ol
PubChem CID116521447
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-[(5,5-dimethyloxolan-2-yl)methylamino]-3-phenylpropan-1-ol
SMILESCC1(C)CCC(CNC(CO)Cc2ccccc2)O1
InChIInChI=1S/C16H25NO2/c1-16(2)9-8-15(19-16)11-17-14(12-18)10-13-6-4-3-5-7-13/h3-7,14-15,17-18H,8-12H2,1-2H3
InChIKeyRXWPJTBSFQVJGG-UHFFFAOYSA-N
XLogP2.14
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5,5-dimethyloxolan-2-yl)methylamino]propane-1,3-diol
CID 116521519
(2S)-2-[(4-methylcyclohexyl)methylamino]-3-phenylpropan-1-ol
CID 102610105
2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-phenylpropan-1-ol
CID 66363184
2-[(5,5-dimethyloxolan-2-yl)methylamino]-2-phenylacetic acid
CID 116522706
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-phenylethanamine
CID 116521126
(2R)-2-[(3-methylcyclohexyl)methylamino]-3-phenylpropan-1-ol
CID 104922944
(2S)-2-(cyclohex-3-en-1-ylmethylamino)-3-phenylpropan-1-ol
CID 102610116
2-[(1-methylpiperidin-3-yl)methylamino]-3-phenylpropan-1-ol
CID 55167281
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methyl-4-phenylbutan-2-amine
CID 116521687
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 116521281
(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]oxolane-3,4-diol
CID 44585243
(2S)-2-(2-methylpropylamino)-3-phenylpropan-1-ol
CID 102610095

Frequently Asked Questions

What is the IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methylamino]-3-phenylpropan-1-ol?
The IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methylamino]-3-phenylpropan-1-ol (CID 116521447) is 2-[(5,5-dimethyloxolan-2-yl)methylamino]-3-phenylpropan-1-ol.
What is the SMILES notation for 2-[(5,5-dimethyloxolan-2-yl)methylamino]-3-phenylpropan-1-ol?
The canonical SMILES for 2-[(5,5-dimethyloxolan-2-yl)methylamino]-3-phenylpropan-1-ol is CC1(C)CCC(CNC(CO)Cc2ccccc2)O1.
What is the InChIKey of 2-[(5,5-dimethyloxolan-2-yl)methylamino]-3-phenylpropan-1-ol?
The InChIKey is RXWPJTBSFQVJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-16(2)9-8-15(19-16)11-17-14(12-18)10-13-6-4-3-5-7-13/h3-7,14-15,17-18H,8-12H2,1-2H3.
What are the key properties of 2-[(5,5-dimethyloxolan-2-yl)methylamino]-3-phenylpropan-1-ol?
2-[(5,5-dimethyloxolan-2-yl)methylamino]-3-phenylpropan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,5-dimethyloxolan-2-yl)methylamino]-3-phenylpropan-1-ol is sourced from PubChem (CID 116521447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).