1-[1-(methylamino)propan-2-yloxy]-3-phenylmethoxypropan-2-ol

C14H23NO3 — CID 106939509

IUPAC1-[1-(methylamino)propan-2-yloxy]-3-phenylmethoxypropan-2-ol
SMILESCNCC(C)OCC(O)COCc1ccccc1
InChIInChI=1S/C14H23NO3/c1-12(8-15-2)18-11-14(16)10-17-9-13-6-4-3-5-7-13/h3-7,12,14-16H,8-11H2,1-2H3
InChIKeyRSXYFAHXTRNFNI-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.19
Rot. Bonds9

About 1-[1-(methylamino)propan-2-yloxy]-3-phenylmethoxypropan-2-ol

1-[1-(methylamino)propan-2-yloxy]-3-phenylmethoxypropan-2-ol (PubChem CID 106939509) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-[1-(methylamino)propan-2-yloxy]-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1-[1-(methylamino)propan-2-yloxy]-3-phenylmethoxypropan-2-ol
PubChem CID106939509
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-[1-(methylamino)propan-2-yloxy]-3-phenylmethoxypropan-2-ol
SMILESCNCC(C)OCC(O)COCc1ccccc1
InChIInChI=1S/C14H23NO3/c1-12(8-15-2)18-11-14(16)10-17-9-13-6-4-3-5-7-13/h3-7,12,14-16H,8-11H2,1-2H3
InChIKeyRSXYFAHXTRNFNI-UHFFFAOYSA-N
XLogP1.19
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
1-(2-methylpentan-3-ylamino)-3-phenylmethoxypropan-2-ol
CID 61469295
2-benzyl-N-methyl-3-phenylmethoxypropan-1-amine
CID 102940419
(2S)-1-(benzylamino)-3-phenylmethoxypropan-2-ol
CID 10707267
(2R,3R,4R)-1,3-bis(phenylmethoxy)pentane-2,4-diol
CID 11067059
1-[(2-methylpropan-2-yl)oxyamino]-3-phenylmethoxypropan-2-ol
CID 82723320
CID 172760983
CID 172760983
1-(2-cyclopropylpropylamino)-3-phenylmethoxypropan-2-ol
CID 115591857
1-(2-aminoethoxy)-3-phenylmethoxypropan-2-ol
CID 106939746
1-(2,2-difluoroethylamino)-3-phenylmethoxypropan-2-ol
CID 115406795
(2S)-1-(2-phenylethylamino)-3-phenylmethoxypropan-2-ol
CID 93381144
N-methyl-2-(phenylmethoxymethyl)pentan-1-amine
CID 102940428

Frequently Asked Questions

What is the IUPAC name of 1-[1-(methylamino)propan-2-yloxy]-3-phenylmethoxypropan-2-ol?
The IUPAC name of 1-[1-(methylamino)propan-2-yloxy]-3-phenylmethoxypropan-2-ol (CID 106939509) is 1-[1-(methylamino)propan-2-yloxy]-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1-[1-(methylamino)propan-2-yloxy]-3-phenylmethoxypropan-2-ol?
The canonical SMILES for 1-[1-(methylamino)propan-2-yloxy]-3-phenylmethoxypropan-2-ol is CNCC(C)OCC(O)COCc1ccccc1.
What is the InChIKey of 1-[1-(methylamino)propan-2-yloxy]-3-phenylmethoxypropan-2-ol?
The InChIKey is RSXYFAHXTRNFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-12(8-15-2)18-11-14(16)10-17-9-13-6-4-3-5-7-13/h3-7,12,14-16H,8-11H2,1-2H3.
What are the key properties of 1-[1-(methylamino)propan-2-yloxy]-3-phenylmethoxypropan-2-ol?
1-[1-(methylamino)propan-2-yloxy]-3-phenylmethoxypropan-2-ol has a molecular weight of 253.34 g/mol, XLogP of 1.19, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(methylamino)propan-2-yloxy]-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 106939509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).