2-[[(E)-2-methyl-3-phenylprop-2-enyl]-propylamino]ethanol

C15H23NO — CID 40516198

IUPAC2-[[(E)-2-methyl-3-phenylprop-2-enyl]-propylamino]ethanol
SMILESCCCN(CCO)C/C(C)=C/c1ccccc1
InChIInChI=1S/C15H23NO/c1-3-9-16(10-11-17)13-14(2)12-15-7-5-4-6-8-15/h4-8,12,17H,3,9-11,13H2,1-2H3/b14-12+
InChIKeyNEWKDVOVDFOOCF-WYMLVPIESA-N
MW233.36 g/mol
LogP2.79
Rot. Bonds7

About 2-[[(E)-2-methyl-3-phenylprop-2-enyl]-propylamino]ethanol

2-[[(E)-2-methyl-3-phenylprop-2-enyl]-propylamino]ethanol (PubChem CID 40516198) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-[[(E)-2-methyl-3-phenylprop-2-enyl]-propylamino]ethanol.

Molecular Properties

Compound Name2-[[(E)-2-methyl-3-phenylprop-2-enyl]-propylamino]ethanol
PubChem CID40516198
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name2-[[(E)-2-methyl-3-phenylprop-2-enyl]-propylamino]ethanol
SMILESCCCN(CCO)C/C(C)=C/c1ccccc1
InChIInChI=1S/C15H23NO/c1-3-9-16(10-11-17)13-14(2)12-15-7-5-4-6-8-15/h4-8,12,17H,3,9-11,13H2,1-2H3/b14-12+
InChIKeyNEWKDVOVDFOOCF-WYMLVPIESA-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 ≤ 500233.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-2-methyl-3-phenylprop-2-enyl]-propylamino]ethanol?
The IUPAC name of 2-[[(E)-2-methyl-3-phenylprop-2-enyl]-propylamino]ethanol (CID 40516198) is 2-[[(E)-2-methyl-3-phenylprop-2-enyl]-propylamino]ethanol.
What is the SMILES notation for 2-[[(E)-2-methyl-3-phenylprop-2-enyl]-propylamino]ethanol?
The canonical SMILES for 2-[[(E)-2-methyl-3-phenylprop-2-enyl]-propylamino]ethanol is CCCN(CCO)C/C(C)=C/c1ccccc1.
What is the InChIKey of 2-[[(E)-2-methyl-3-phenylprop-2-enyl]-propylamino]ethanol?
The InChIKey is NEWKDVOVDFOOCF-WYMLVPIESA-N. The full InChI is InChI=1S/C15H23NO/c1-3-9-16(10-11-17)13-14(2)12-15-7-5-4-6-8-15/h4-8,12,17H,3,9-11,13H2,1-2H3/b14-12+.
What are the key properties of 2-[[(E)-2-methyl-3-phenylprop-2-enyl]-propylamino]ethanol?
2-[[(E)-2-methyl-3-phenylprop-2-enyl]-propylamino]ethanol has a molecular weight of 233.36 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-[[(E)-2-methyl-3-phenylprop-2-enyl]-propylamino]ethanol is sourced from PubChem (CID 40516198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).