2-[(4-propan-2-ylphenyl)methyl-prop-2-enylamino]ethanol

C15H23NO — CID 115631692

IUPAC2-[(4-propan-2-ylphenyl)methyl-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C15H23NO/c1-4-9-16(10-11-17)12-14-5-7-15(8-6-14)13(2)3/h4-8,13,17H,1,9-12H2,2-3H3
InChIKeySBSKHNGUEPVZNP-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.79
Rot. Bonds7

About 2-[(4-propan-2-ylphenyl)methyl-prop-2-enylamino]ethanol

2-[(4-propan-2-ylphenyl)methyl-prop-2-enylamino]ethanol (PubChem CID 115631692) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-[(4-propan-2-ylphenyl)methyl-prop-2-enylamino]ethanol.

Molecular Properties

Compound Name2-[(4-propan-2-ylphenyl)methyl-prop-2-enylamino]ethanol
PubChem CID115631692
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-[(4-propan-2-ylphenyl)methyl-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C15H23NO/c1-4-9-16(10-11-17)12-14-5-7-15(8-6-14)13(2)3/h4-8,13,17H,1,9-12H2,2-3H3
InChIKeySBSKHNGUEPVZNP-UHFFFAOYSA-N
XLogP2.79
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-(difluoromethoxy)phenyl]methyl-prop-2-enylamino]ethanol
CID 111423289
[4-[[bis(prop-2-enyl)amino]methyl]phenyl]methanol
CID 83794067
N-[(3-propan-2-ylphenyl)methyl]-N-prop-2-enylpropan-1-amine
CID 143498981
2-amino-N-[(4-propan-2-ylphenyl)methyl]-N-prop-2-enylacetamide
CID 39349341
2-chloro-N-[(4-propan-2-ylphenyl)methyl]-N-prop-2-enylacetamide
CID 39365300
2-[(2-methylphenyl)methyl-prop-2-enylamino]ethanol
CID 111423251
N-[(4-methylphenyl)methyl]-N-prop-2-enylpropan-1-amine
CID 138519013
2-[[4-(4-ethenylphenyl)phenyl]methyl-(2-hydroxyethyl)amino]ethanol
CID 23569814
N-methyl-N-[(4-propan-2-ylphenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 78914551
2-[(2,5-dichlorophenyl)methyl-prop-2-enylamino]ethanol
CID 115647773
3-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-N,N-dimethylbenzamide
CID 111423290
2-[[2-chloro-2-(4-propan-2-ylphenyl)ethyl]-(2-hydroxyethyl)amino]ethanol
CID 82214394

Frequently Asked Questions

What is the IUPAC name of 2-[(4-propan-2-ylphenyl)methyl-prop-2-enylamino]ethanol?
The IUPAC name of 2-[(4-propan-2-ylphenyl)methyl-prop-2-enylamino]ethanol (CID 115631692) is 2-[(4-propan-2-ylphenyl)methyl-prop-2-enylamino]ethanol.
What is the SMILES notation for 2-[(4-propan-2-ylphenyl)methyl-prop-2-enylamino]ethanol?
The canonical SMILES for 2-[(4-propan-2-ylphenyl)methyl-prop-2-enylamino]ethanol is C=CCN(CCO)Cc1ccc(C(C)C)cc1.
What is the InChIKey of 2-[(4-propan-2-ylphenyl)methyl-prop-2-enylamino]ethanol?
The InChIKey is SBSKHNGUEPVZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-9-16(10-11-17)12-14-5-7-15(8-6-14)13(2)3/h4-8,13,17H,1,9-12H2,2-3H3.
What are the key properties of 2-[(4-propan-2-ylphenyl)methyl-prop-2-enylamino]ethanol?
2-[(4-propan-2-ylphenyl)methyl-prop-2-enylamino]ethanol has a molecular weight of 233.35 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propan-2-ylphenyl)methyl-prop-2-enylamino]ethanol is sourced from PubChem (CID 115631692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).