2-[benzyl-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]amino]ethanol

C20H26N2O — CID 40514905

IUPAC2-[benzyl-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]amino]ethanol
SMILESCN(C)c1ccc(/C=C/CN(CCO)Cc2ccccc2)cc1
InChIInChI=1S/C20H26N2O/c1-21(2)20-12-10-18(11-13-20)9-6-14-22(15-16-23)17-19-7-4-3-5-8-19/h3-13,23H,14-17H2,1-2H3/b9-6+
InChIKeyCVLYLTKTMXXSRX-RMKNXTFCSA-N
MW310.44 g/mol
LogP3.26
Rot. Bonds8

About 2-[benzyl-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]amino]ethanol

2-[benzyl-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]amino]ethanol (PubChem CID 40514905) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-[benzyl-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]amino]ethanol.

Molecular Properties

Compound Name2-[benzyl-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]amino]ethanol
PubChem CID40514905
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name2-[benzyl-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]amino]ethanol
SMILESCN(C)c1ccc(/C=C/CN(CCO)Cc2ccccc2)cc1
InChIInChI=1S/C20H26N2O/c1-21(2)20-12-10-18(11-13-20)9-6-14-22(15-16-23)17-19-7-4-3-5-8-19/h3-13,23H,14-17H2,1-2H3/b9-6+
InChIKeyCVLYLTKTMXXSRX-RMKNXTFCSA-N
XLogP3.26
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-4-[(E)-3-phenylprop-1-enyl]aniline
CID 10728588
2-[methyl-[(E)-3-phenylprop-2-enyl]amino]ethanol
CID 14988338
3-[4-(dimethylamino)phenyl]prop-2-en-1-ol
CID 53395716
4-[(1E,4E)-5-[4-(dimethylamino)phenyl]penta-1,4-dienyl]-N,N-dimethylaniline
CID 58612965
2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dimethyl-1-phenylmethanamine
CID 67016805
2-[(3,5-dichloro-4-pyridinyl)methyl-[(E)-3-phenylprop-2-enyl]amino]ethanol
CID 46983801
(Z)-N-benzyl-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride
CID 54603104
N,N-dimethyl-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]aniline
CID 132506209
CID 173417054
CID 173417054
2-[benzyl-[(3,5-dimethylphenyl)methyl]amino]ethanol
CID 60684939
1-[4-(dimethylamino)phenyl]-5-phenylpent-1-en-3-one
CID 2750650
N-[(4-fluorophenyl)methyl]-N-[(E)-3-phenylprop-2-enyl]butan-1-amine
CID 122547632

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]amino]ethanol?
The IUPAC name of 2-[benzyl-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]amino]ethanol (CID 40514905) is 2-[benzyl-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]amino]ethanol.
What is the SMILES notation for 2-[benzyl-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]amino]ethanol?
The canonical SMILES for 2-[benzyl-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]amino]ethanol is CN(C)c1ccc(/C=C/CN(CCO)Cc2ccccc2)cc1.
What is the InChIKey of 2-[benzyl-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]amino]ethanol?
The InChIKey is CVLYLTKTMXXSRX-RMKNXTFCSA-N. The full InChI is InChI=1S/C20H26N2O/c1-21(2)20-12-10-18(11-13-20)9-6-14-22(15-16-23)17-19-7-4-3-5-8-19/h3-13,23H,14-17H2,1-2H3/b9-6+.
What are the key properties of 2-[benzyl-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]amino]ethanol?
2-[benzyl-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]amino]ethanol has a molecular weight of 310.44 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]amino]ethanol is sourced from PubChem (CID 40514905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).