1-[2-hydroxyethyl(prop-2-enyl)amino]-2-phenylpropan-2-ol

C14H21NO2 — CID 113339929

IUPAC1-[2-hydroxyethyl(prop-2-enyl)amino]-2-phenylpropan-2-ol
SMILESC=CCN(CCO)CC(C)(O)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-3-9-15(10-11-16)12-14(2,17)13-7-5-4-6-8-13/h3-8,16-17H,1,9-12H2,2H3
InChIKeyIHWZGJIPPILRMB-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.37
Rot. Bonds7

About 1-[2-hydroxyethyl(prop-2-enyl)amino]-2-phenylpropan-2-ol

1-[2-hydroxyethyl(prop-2-enyl)amino]-2-phenylpropan-2-ol (PubChem CID 113339929) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[2-hydroxyethyl(prop-2-enyl)amino]-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[2-hydroxyethyl(prop-2-enyl)amino]-2-phenylpropan-2-ol
PubChem CID113339929
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-[2-hydroxyethyl(prop-2-enyl)amino]-2-phenylpropan-2-ol
SMILESC=CCN(CCO)CC(C)(O)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-3-9-15(10-11-16)12-14(2,17)13-7-5-4-6-8-13/h3-8,16-17H,1,9-12H2,2H3
InChIKeyIHWZGJIPPILRMB-UHFFFAOYSA-N
XLogP1.37
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[2-hydroxyethyl(prop-2-enyl)amino]-2-methylbutan-2-ol
CID 114496866
2-[(2-methylphenyl)methyl-prop-2-enylamino]ethanol
CID 111423251
3-[bis(prop-2-enyl)amino]-2-methyl-2-phenylpropanal
CID 62276195
4-[bis(prop-2-enyl)amino]-1,1-diphenylbutan-1-ol
CID 3026470
1-[cyclopropyl(2-hydroxyethyl)amino]-2-phenylpropan-2-ol
CID 62373661
2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol
CID 115631860
2-[3-phenoxypropyl(prop-2-enyl)amino]ethanol
CID 113237465
2-[(2-methoxyphenyl)methyl-prop-2-enylamino]ethanol
CID 115610796
2-[2-(benzenesulfonyl)ethyl-prop-2-enylamino]ethanol
CID 111423426
2-[(2,6-difluorophenyl)methyl-prop-2-enylamino]ethanol
CID 115883250
1-[2-(dimethylamino)ethyl-propylamino]-2-phenylpropan-2-ol
CID 62374488
2-[methyl(prop-2-enyl)amino]-2-phenylpropanoic acid
CID 70010051

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxyethyl(prop-2-enyl)amino]-2-phenylpropan-2-ol?
The IUPAC name of 1-[2-hydroxyethyl(prop-2-enyl)amino]-2-phenylpropan-2-ol (CID 113339929) is 1-[2-hydroxyethyl(prop-2-enyl)amino]-2-phenylpropan-2-ol.
What is the SMILES notation for 1-[2-hydroxyethyl(prop-2-enyl)amino]-2-phenylpropan-2-ol?
The canonical SMILES for 1-[2-hydroxyethyl(prop-2-enyl)amino]-2-phenylpropan-2-ol is C=CCN(CCO)CC(C)(O)c1ccccc1.
What is the InChIKey of 1-[2-hydroxyethyl(prop-2-enyl)amino]-2-phenylpropan-2-ol?
The InChIKey is IHWZGJIPPILRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-9-15(10-11-16)12-14(2,17)13-7-5-4-6-8-13/h3-8,16-17H,1,9-12H2,2H3.
What are the key properties of 1-[2-hydroxyethyl(prop-2-enyl)amino]-2-phenylpropan-2-ol?
1-[2-hydroxyethyl(prop-2-enyl)amino]-2-phenylpropan-2-ol has a molecular weight of 235.33 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxyethyl(prop-2-enyl)amino]-2-phenylpropan-2-ol is sourced from PubChem (CID 113339929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).