1-phenyl-3-(propan-2-ylamino)propane-1,2-diol

C12H19NO2 — CID 71346465

IUPAC1-phenyl-3-(propan-2-ylamino)propane-1,2-diol
SMILESCC(C)NCC(O)C(O)c1ccccc1
InChIInChI=1S/C12H19NO2/c1-9(2)13-8-11(14)12(15)10-6-4-3-5-7-10/h3-7,9,11-15H,8H2,1-2H3
InChIKeyODVNVVXLZAALLK-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.08
Rot. Bonds5

About 1-phenyl-3-(propan-2-ylamino)propane-1,2-diol

1-phenyl-3-(propan-2-ylamino)propane-1,2-diol (PubChem CID 71346465) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-phenyl-3-(propan-2-ylamino)propane-1,2-diol.

Molecular Properties

Compound Name1-phenyl-3-(propan-2-ylamino)propane-1,2-diol
PubChem CID71346465
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-phenyl-3-(propan-2-ylamino)propane-1,2-diol
SMILESCC(C)NCC(O)C(O)c1ccccc1
InChIInChI=1S/C12H19NO2/c1-9(2)13-8-11(14)12(15)10-6-4-3-5-7-10/h3-7,9,11-15H,8H2,1-2H3
InChIKeyODVNVVXLZAALLK-UHFFFAOYSA-N
XLogP1.08
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-bis(1-phenylethylamino)butane-2,3-diol
CID 20833353
(2S)-1-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 70464274
1-(2,2-diphenylethoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 51063228
(1R,2S)-2-(aminomethylamino)-1-phenylpropan-1-ol
CID 142004415
(1R,2R)-3-chloro-1-phenylpropane-1,2-diol
CID 129404895
1,2-diphenylethane-1,2-diol
CID 159073808
1,3-bis[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 15470316
(1R,2R)-4-methyl-1,2-diphenylpentan-1-ol
CID 6976778
N-[2-phenyl-2-(2-propan-2-yloxyethoxy)ethyl]propan-2-amine
CID 62108300
(1S,2R)-1-phenyl-2-(propylamino)propan-1-ol
CID 14697423
[1-phenyl-2-(propan-2-ylamino)ethyl] acetate
CID 54509010
1-(1,2-diphenylethylamino)-3-methylbutan-2-ol
CID 115720401

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(propan-2-ylamino)propane-1,2-diol?
The IUPAC name of 1-phenyl-3-(propan-2-ylamino)propane-1,2-diol (CID 71346465) is 1-phenyl-3-(propan-2-ylamino)propane-1,2-diol.
What is the SMILES notation for 1-phenyl-3-(propan-2-ylamino)propane-1,2-diol?
The canonical SMILES for 1-phenyl-3-(propan-2-ylamino)propane-1,2-diol is CC(C)NCC(O)C(O)c1ccccc1.
What is the InChIKey of 1-phenyl-3-(propan-2-ylamino)propane-1,2-diol?
The InChIKey is ODVNVVXLZAALLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-9(2)13-8-11(14)12(15)10-6-4-3-5-7-10/h3-7,9,11-15H,8H2,1-2H3.
What are the key properties of 1-phenyl-3-(propan-2-ylamino)propane-1,2-diol?
1-phenyl-3-(propan-2-ylamino)propane-1,2-diol has a molecular weight of 209.29 g/mol, XLogP of 1.08, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(propan-2-ylamino)propane-1,2-diol is sourced from PubChem (CID 71346465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).