1-phenylmethoxy-3-(2,2,3,3-tetramethylazetidin-1-yl)propan-2-ol

C17H27NO2 — CID 111858535

IUPAC1-phenylmethoxy-3-(2,2,3,3-tetramethylazetidin-1-yl)propan-2-ol
SMILESCC1(C)CN(CC(O)COCc2ccccc2)C1(C)C
InChIInChI=1S/C17H27NO2/c1-16(2)13-18(17(16,3)4)10-15(19)12-20-11-14-8-6-5-7-9-14/h5-9,15,19H,10-13H2,1-4H3
InChIKeyCVPVLUZIQFONGJ-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.68
Rot. Bonds6

About 1-phenylmethoxy-3-(2,2,3,3-tetramethylazetidin-1-yl)propan-2-ol

1-phenylmethoxy-3-(2,2,3,3-tetramethylazetidin-1-yl)propan-2-ol (PubChem CID 111858535) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-phenylmethoxy-3-(2,2,3,3-tetramethylazetidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-phenylmethoxy-3-(2,2,3,3-tetramethylazetidin-1-yl)propan-2-ol
PubChem CID111858535
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-phenylmethoxy-3-(2,2,3,3-tetramethylazetidin-1-yl)propan-2-ol
SMILESCC1(C)CN(CC(O)COCc2ccccc2)C1(C)C
InChIInChI=1S/C17H27NO2/c1-16(2)13-18(17(16,3)4)10-15(19)12-20-11-14-8-6-5-7-9-14/h5-9,15,19H,10-13H2,1-4H3
InChIKeyCVPVLUZIQFONGJ-UHFFFAOYSA-N
XLogP2.68
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethylmorpholin-4-yl)-3-phenylmethoxypropan-2-ol
CID 60761061
(2S)-1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol
CID 740501
1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol chloride
CID 53346846
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol
CID 2769742
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol chloride
CID 21236635
1-(4-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol
CID 2834350
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol dichloride
CID 21236661
2-phenylmethoxyethane-1,1-diol
CID 59866645
1-(2,6-dimethylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol chloride
CID 21236643
(5S)-5-cyclopropyl-3-[(2R)-2-hydroxy-3-phenylmethoxypropyl]-5-methylimidazolidine-2,4-dione
CID 31569633
1-[(2R)-2-hydroxy-3-phenylmethoxypropyl]piperidin-4-ol
CID 95232047
1-(2-hydroxy-3-phenylmethoxypropyl)piperidin-4-ol
CID 60632394

Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxy-3-(2,2,3,3-tetramethylazetidin-1-yl)propan-2-ol?
The IUPAC name of 1-phenylmethoxy-3-(2,2,3,3-tetramethylazetidin-1-yl)propan-2-ol (CID 111858535) is 1-phenylmethoxy-3-(2,2,3,3-tetramethylazetidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-phenylmethoxy-3-(2,2,3,3-tetramethylazetidin-1-yl)propan-2-ol?
The canonical SMILES for 1-phenylmethoxy-3-(2,2,3,3-tetramethylazetidin-1-yl)propan-2-ol is CC1(C)CN(CC(O)COCc2ccccc2)C1(C)C.
What is the InChIKey of 1-phenylmethoxy-3-(2,2,3,3-tetramethylazetidin-1-yl)propan-2-ol?
The InChIKey is CVPVLUZIQFONGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-16(2)13-18(17(16,3)4)10-15(19)12-20-11-14-8-6-5-7-9-14/h5-9,15,19H,10-13H2,1-4H3.
What are the key properties of 1-phenylmethoxy-3-(2,2,3,3-tetramethylazetidin-1-yl)propan-2-ol?
1-phenylmethoxy-3-(2,2,3,3-tetramethylazetidin-1-yl)propan-2-ol has a molecular weight of 277.41 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxy-3-(2,2,3,3-tetramethylazetidin-1-yl)propan-2-ol is sourced from PubChem (CID 111858535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).