1-(oxolan-2-ylmethoxy)-3-(N,2,3-trimethylanilino)propan-2-ol

C17H27NO3 — CID 110900484

IUPAC1-(oxolan-2-ylmethoxy)-3-(N,2,3-trimethylanilino)propan-2-ol
SMILESCc1cccc(N(C)CC(O)COCC2CCCO2)c1C
InChIInChI=1S/C17H27NO3/c1-13-6-4-8-17(14(13)2)18(3)10-15(19)11-20-12-16-7-5-9-21-16/h4,6,8,15-16,19H,5,7,9-12H2,1-3H3
InChIKeyXWUBPZXGTFWZKF-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.30
Rot. Bonds7

About 1-(oxolan-2-ylmethoxy)-3-(N,2,3-trimethylanilino)propan-2-ol

1-(oxolan-2-ylmethoxy)-3-(N,2,3-trimethylanilino)propan-2-ol (PubChem CID 110900484) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethoxy)-3-(N,2,3-trimethylanilino)propan-2-ol.

Molecular Properties

Compound Name1-(oxolan-2-ylmethoxy)-3-(N,2,3-trimethylanilino)propan-2-ol
PubChem CID110900484
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name1-(oxolan-2-ylmethoxy)-3-(N,2,3-trimethylanilino)propan-2-ol
SMILESCc1cccc(N(C)CC(O)COCC2CCCO2)c1C
InChIInChI=1S/C17H27NO3/c1-13-6-4-8-17(14(13)2)18(3)10-15(19)11-20-12-16-7-5-9-21-16/h4,6,8,15-16,19H,5,7,9-12H2,1-3H3
InChIKeyXWUBPZXGTFWZKF-UHFFFAOYSA-N
XLogP2.30
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[methyl(naphthalen-2-yl)amino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 78827395
1-[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 111462681
1-(diethylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 110877523
(2R)-1-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol
CID 124799203
1-[[(1R)-1-(2-methylphenyl)ethyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 81364457
(2S)-1-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol
CID 124737593
1-[cyclopentyl(ethyl)amino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 110892631
(2S)-1-[methyl(1,3-thiazol-4-ylmethyl)amino]-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol
CID 95044295
1-[1-(5-methylfuran-2-yl)ethylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 61040225
1-[furan-2-ylmethyl-[(5-methylthiophen-2-yl)methyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 86849360
1-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 111488930
1-[1-(furan-2-yl)ethylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 54938663

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethoxy)-3-(N,2,3-trimethylanilino)propan-2-ol?
The IUPAC name of 1-(oxolan-2-ylmethoxy)-3-(N,2,3-trimethylanilino)propan-2-ol (CID 110900484) is 1-(oxolan-2-ylmethoxy)-3-(N,2,3-trimethylanilino)propan-2-ol.
What is the SMILES notation for 1-(oxolan-2-ylmethoxy)-3-(N,2,3-trimethylanilino)propan-2-ol?
The canonical SMILES for 1-(oxolan-2-ylmethoxy)-3-(N,2,3-trimethylanilino)propan-2-ol is Cc1cccc(N(C)CC(O)COCC2CCCO2)c1C.
What is the InChIKey of 1-(oxolan-2-ylmethoxy)-3-(N,2,3-trimethylanilino)propan-2-ol?
The InChIKey is XWUBPZXGTFWZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-13-6-4-8-17(14(13)2)18(3)10-15(19)11-20-12-16-7-5-9-21-16/h4,6,8,15-16,19H,5,7,9-12H2,1-3H3.
What are the key properties of 1-(oxolan-2-ylmethoxy)-3-(N,2,3-trimethylanilino)propan-2-ol?
1-(oxolan-2-ylmethoxy)-3-(N,2,3-trimethylanilino)propan-2-ol has a molecular weight of 293.41 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethoxy)-3-(N,2,3-trimethylanilino)propan-2-ol is sourced from PubChem (CID 110900484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).