2-[ethyl-(2-methyl-3-phenylprop-2-enyl)amino]ethanol

C14H21NO — CID 127265155

IUPAC2-[ethyl-(2-methyl-3-phenylprop-2-enyl)amino]ethanol
SMILESCCN(CCO)CC(C)=Cc1ccccc1
InChIInChI=1S/C14H21NO/c1-3-15(9-10-16)12-13(2)11-14-7-5-4-6-8-14/h4-8,11,16H,3,9-10,12H2,1-2H3
InChIKeyFVCKPJYMZHFAGA-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.40
Rot. Bonds6

About 2-[ethyl-(2-methyl-3-phenylprop-2-enyl)amino]ethanol

2-[ethyl-(2-methyl-3-phenylprop-2-enyl)amino]ethanol (PubChem CID 127265155) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-[ethyl-(2-methyl-3-phenylprop-2-enyl)amino]ethanol.

Molecular Properties

Compound Name2-[ethyl-(2-methyl-3-phenylprop-2-enyl)amino]ethanol
PubChem CID127265155
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-[ethyl-(2-methyl-3-phenylprop-2-enyl)amino]ethanol
SMILESCCN(CCO)CC(C)=Cc1ccccc1
InChIInChI=1S/C14H21NO/c1-3-15(9-10-16)12-13(2)11-14-7-5-4-6-8-14/h4-8,11,16H,3,9-10,12H2,1-2H3
InChIKeyFVCKPJYMZHFAGA-UHFFFAOYSA-N
XLogP2.40
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(E)-3-bromo-2-methylprop-1-enyl]benzene
CID 10910824
N-(2-methyl-3-phenylprop-2-enyl)-N-propan-2-ylpropanamide
CID 76600128
N-benzyl-N-ethyl-2-[ethyl(2-hydroxyethyl)amino]acetamide
CID 60685771
2-[N-ethyl-4-[(E)-2-methylbut-1-enyl]anilino]ethanol
CID 71047580
3-methyl-4-phenylbut-3-en-1-ol;phosphoric acid
CID 175448034
(2-methyl-3-phenylprop-1-enyl)benzene
CID 15841501
1-[benzyl(2-hydroxyethyl)amino]propan-2-one
CID 20674857
2-[ethyl(4-phenylbutyl)amino]ethanol
CID 114334503
N,N-diethyl-2-methyl-3-[4-(3-methylbutylsulfanyl)phenyl]prop-2-en-1-amine
CID 54510568
[(1Z)-2-methylpenta-1,4-dienyl]benzene
CID 14247244
3-[(2-methyl-3-phenylprop-2-enyl)amino]propan-1-ol
CID 68679938
2-[N-[2-(diethylamino)ethyl]anilino]ethanol
CID 110016854

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(2-methyl-3-phenylprop-2-enyl)amino]ethanol?
The IUPAC name of 2-[ethyl-(2-methyl-3-phenylprop-2-enyl)amino]ethanol (CID 127265155) is 2-[ethyl-(2-methyl-3-phenylprop-2-enyl)amino]ethanol.
What is the SMILES notation for 2-[ethyl-(2-methyl-3-phenylprop-2-enyl)amino]ethanol?
The canonical SMILES for 2-[ethyl-(2-methyl-3-phenylprop-2-enyl)amino]ethanol is CCN(CCO)CC(C)=Cc1ccccc1.
What is the InChIKey of 2-[ethyl-(2-methyl-3-phenylprop-2-enyl)amino]ethanol?
The InChIKey is FVCKPJYMZHFAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-15(9-10-16)12-13(2)11-14-7-5-4-6-8-14/h4-8,11,16H,3,9-10,12H2,1-2H3.
What are the key properties of 2-[ethyl-(2-methyl-3-phenylprop-2-enyl)amino]ethanol?
2-[ethyl-(2-methyl-3-phenylprop-2-enyl)amino]ethanol has a molecular weight of 219.33 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(2-methyl-3-phenylprop-2-enyl)amino]ethanol is sourced from PubChem (CID 127265155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).