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

C12H17NO — CID 14988338

IUPAC2-[methyl-[(E)-3-phenylprop-2-enyl]amino]ethanol
SMILESCN(C/C=C/c1ccccc1)CCO
InChIInChI=1S/C12H17NO/c1-13(10-11-14)9-5-8-12-6-3-2-4-7-12/h2-8,14H,9-11H2,1H3/b8-5+
InChIKeyZONYGGHYMHLGLC-VMPITWQZSA-N
MW191.27 g/mol
LogP1.62
Rot. Bonds5

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

2-[methyl-[(E)-3-phenylprop-2-enyl]amino]ethanol (PubChem CID 14988338) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-[methyl-[(E)-3-phenylprop-2-enyl]amino]ethanol.

Molecular Properties

Compound Name2-[methyl-[(E)-3-phenylprop-2-enyl]amino]ethanol
PubChem CID14988338
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-[methyl-[(E)-3-phenylprop-2-enyl]amino]ethanol
SMILESCN(C/C=C/c1ccccc1)CCO
InChIInChI=1S/C12H17NO/c1-13(10-11-14)9-5-8-12-6-3-2-4-7-12/h2-8,14H,9-11H2,1H3/b8-5+
InChIKeyZONYGGHYMHLGLC-VMPITWQZSA-N
XLogP1.62
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-N-benzyl-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride
CID 54603104
ethyl 2-[methyl(3-phenylprop-2-enyl)amino]acetate
CID 76932222
dimethylamino (E)-5-phenylpent-4-enoate
CID 174423096
2-[benzyl-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]amino]ethanol
CID 40514905
N-methyl-N-[(E)-3-phenylprop-2-enyl]formamide
CID 122392912
1,2-dimethyl-1-[(E)-3-phenylprop-2-enyl]hydrazine
CID 137382786
2-[[(E)-but-2-enyl]-methylamino]ethanol;ethane
CID 144566611
N'-ethyl-N,N-dimethyl-N'-(3-phenylprop-2-enyl)ethane-1,2-diamine
CID 2845846
2-(dimethylamino)-N-(2-hydroxyethyl)-2-(2-methylphenyl)-N-[(E)-3-phenylprop-2-enyl]acetamide
CID 72890883
N-tert-butyl-2-methyl-N-(3-phenylprop-2-enyl)propan-2-amine
CID 139724022
(E)-9-phenylnon-8-en-1-ol
CID 10489025
N',N'-dimethyl-N-[(Z)-3-phenylprop-2-enyl]propane-1,3-diamine
CID 93072425

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(E)-3-phenylprop-2-enyl]amino]ethanol?
The IUPAC name of 2-[methyl-[(E)-3-phenylprop-2-enyl]amino]ethanol (CID 14988338) is 2-[methyl-[(E)-3-phenylprop-2-enyl]amino]ethanol.
What is the SMILES notation for 2-[methyl-[(E)-3-phenylprop-2-enyl]amino]ethanol?
The canonical SMILES for 2-[methyl-[(E)-3-phenylprop-2-enyl]amino]ethanol is CN(C/C=C/c1ccccc1)CCO.
What is the InChIKey of 2-[methyl-[(E)-3-phenylprop-2-enyl]amino]ethanol?
The InChIKey is ZONYGGHYMHLGLC-VMPITWQZSA-N. The full InChI is InChI=1S/C12H17NO/c1-13(10-11-14)9-5-8-12-6-3-2-4-7-12/h2-8,14H,9-11H2,1H3/b8-5+.
What are the key properties of 2-[methyl-[(E)-3-phenylprop-2-enyl]amino]ethanol?
2-[methyl-[(E)-3-phenylprop-2-enyl]amino]ethanol has a molecular weight of 191.27 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(E)-3-phenylprop-2-enyl]amino]ethanol is sourced from PubChem (CID 14988338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).