1-phenoxy-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol

C16H20N2O2 — CID 81402245

IUPAC1-phenoxy-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol
SMILESC[C@H](NCC(O)COc1ccccc1)c1ccccn1
InChIInChI=1S/C16H20N2O2/c1-13(16-9-5-6-10-17-16)18-11-14(19)12-20-15-7-3-2-4-8-15/h2-10,13-14,18-19H,11-12H2,1H3/t13-,14?/m0/s1
InChIKeyPRJKGSHJBNFEFP-LSLKUGRBSA-N
MW272.35 g/mol
LogP2.17
Rot. Bonds7

About 1-phenoxy-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol

1-phenoxy-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol (PubChem CID 81402245) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-phenoxy-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-phenoxy-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol
PubChem CID81402245
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-phenoxy-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol
SMILESC[C@H](NCC(O)COc1ccccc1)c1ccccn1
InChIInChI=1S/C16H20N2O2/c1-13(16-9-5-6-10-17-16)18-11-14(19)12-20-15-7-3-2-4-8-15/h2-10,13-14,18-19H,11-12H2,1H3/t13-,14?/m0/s1
InChIKeyPRJKGSHJBNFEFP-LSLKUGRBSA-N
XLogP2.17
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-phenoxy-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-fluorophenoxy)-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81391897
1-(3-methylphenoxy)-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81392297
1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81407338
1-[[(1S)-1-pyridin-2-ylethyl]amino]butan-2-ol
CID 81401299
ethyl 3-[(2S)-2-hydroxy-3-[[(1R)-1-pyridin-2-ylethyl]amino]propoxy]benzoate
CID 31298486
1-(2-propan-2-yloxyethoxy)-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81401996
1-(1-pyridin-2-ylethylamino)propan-2-ol
CID 43499405
(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
CID 843464
1-phenyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethanol
CID 81407252
1-phenyl-2-(1-pyridin-2-ylethylamino)ethanol
CID 43394637
1-(4-methylcyclohexyl)oxy-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81392661
(2R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]propanoic acid
CID 40543805

Frequently Asked Questions

What is the IUPAC name of 1-phenoxy-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol?
The IUPAC name of 1-phenoxy-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol (CID 81402245) is 1-phenoxy-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol.
What is the SMILES notation for 1-phenoxy-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol?
The canonical SMILES for 1-phenoxy-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol is C[C@H](NCC(O)COc1ccccc1)c1ccccn1.
What is the InChIKey of 1-phenoxy-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol?
The InChIKey is PRJKGSHJBNFEFP-LSLKUGRBSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-13(16-9-5-6-10-17-16)18-11-14(19)12-20-15-7-3-2-4-8-15/h2-10,13-14,18-19H,11-12H2,1H3/t13-,14?/m0/s1.
What are the key properties of 1-phenoxy-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol?
1-phenoxy-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol has a molecular weight of 272.35 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxy-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol is sourced from PubChem (CID 81402245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).