1-[(2,3-dimethyloxolan-3-yl)amino]-3-phenylmethoxypropan-2-ol

C16H25NO3 — CID 103581260

IUPAC1-[(2,3-dimethyloxolan-3-yl)amino]-3-phenylmethoxypropan-2-ol
SMILESCC1OCCC1(C)NCC(O)COCc1ccccc1
InChIInChI=1S/C16H25NO3/c1-13-16(2,8-9-20-13)17-10-15(18)12-19-11-14-6-4-3-5-7-14/h3-7,13,15,17-18H,8-12H2,1-2H3
InChIKeyVHQZDBFSDCIVSQ-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.72
Rot. Bonds7

About 1-[(2,3-dimethyloxolan-3-yl)amino]-3-phenylmethoxypropan-2-ol

1-[(2,3-dimethyloxolan-3-yl)amino]-3-phenylmethoxypropan-2-ol (PubChem CID 103581260) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[(2,3-dimethyloxolan-3-yl)amino]-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1-[(2,3-dimethyloxolan-3-yl)amino]-3-phenylmethoxypropan-2-ol
PubChem CID103581260
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name1-[(2,3-dimethyloxolan-3-yl)amino]-3-phenylmethoxypropan-2-ol
SMILESCC1OCCC1(C)NCC(O)COCc1ccccc1
InChIInChI=1S/C16H25NO3/c1-13-16(2,8-9-20-13)17-10-15(18)12-19-11-14-6-4-3-5-7-14/h3-7,13,15,17-18H,8-12H2,1-2H3
InChIKeyVHQZDBFSDCIVSQ-UHFFFAOYSA-N
XLogP1.72
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-chlorophenyl)methoxy]-3-[(2,3-dimethyloxolan-3-yl)amino]propan-2-ol
CID 103581402
1-[(2,3-dimethyloxolan-3-yl)amino]-3-(2-ethylhexoxy)propan-2-ol
CID 103581424
1-[[1-(hydroxymethyl)cyclopentyl]amino]-3-phenylmethoxypropan-2-ol
CID 62516876
4-[[(2-hydroxy-3-phenylmethoxypropyl)amino]methyl]oxan-4-ol
CID 81133438
1-[(2-methylpropan-2-yl)oxyamino]-3-phenylmethoxypropan-2-ol
CID 82723320
1-(cyclopentyloxyamino)-3-phenylmethoxypropan-2-ol
CID 83229084
1-[[1-(dimethylamino)cyclobutyl]methylamino]-3-phenylmethoxypropan-2-ol
CID 105416659
1-(2-cyclopropylpropylamino)-3-phenylmethoxypropan-2-ol
CID 115591857
(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenylmethoxypropan-2-ol
CID 10869218
(2S)-1-(benzylamino)-3-phenylmethoxypropan-2-ol
CID 10707267
(2S)-1-[[(2R)-4-methylmorpholin-2-yl]methylamino]-3-phenylmethoxypropan-2-ol
CID 95751212
1-(1-cyclopropylbutan-2-ylamino)-3-phenylmethoxypropan-2-ol
CID 63995731

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dimethyloxolan-3-yl)amino]-3-phenylmethoxypropan-2-ol?
The IUPAC name of 1-[(2,3-dimethyloxolan-3-yl)amino]-3-phenylmethoxypropan-2-ol (CID 103581260) is 1-[(2,3-dimethyloxolan-3-yl)amino]-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1-[(2,3-dimethyloxolan-3-yl)amino]-3-phenylmethoxypropan-2-ol?
The canonical SMILES for 1-[(2,3-dimethyloxolan-3-yl)amino]-3-phenylmethoxypropan-2-ol is CC1OCCC1(C)NCC(O)COCc1ccccc1.
What is the InChIKey of 1-[(2,3-dimethyloxolan-3-yl)amino]-3-phenylmethoxypropan-2-ol?
The InChIKey is VHQZDBFSDCIVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-13-16(2,8-9-20-13)17-10-15(18)12-19-11-14-6-4-3-5-7-14/h3-7,13,15,17-18H,8-12H2,1-2H3.
What are the key properties of 1-[(2,3-dimethyloxolan-3-yl)amino]-3-phenylmethoxypropan-2-ol?
1-[(2,3-dimethyloxolan-3-yl)amino]-3-phenylmethoxypropan-2-ol has a molecular weight of 279.38 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dimethyloxolan-3-yl)amino]-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 103581260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).