2-[4-[(E)-3-(dimethylamino)-1-pyridin-3-ylprop-1-enyl]phenyl]ethanol

C18H22N2O — CID 170887479

IUPAC2-[4-[(E)-3-(dimethylamino)-1-pyridin-3-ylprop-1-enyl]phenyl]ethanol
SMILESCN(C)C/C=C(\c1ccc(CCO)cc1)c1cccnc1
InChIInChI=1S/C18H22N2O/c1-20(2)12-9-18(17-4-3-11-19-14-17)16-7-5-15(6-8-16)10-13-21/h3-9,11,14,21H,10,12-13H2,1-2H3/b18-9+
InChIKeyCMAPKWOVOPPWAD-GIJQJNRQSA-N
MW282.39 g/mol
LogP2.61
Rot. Bonds6

About 2-[4-[(E)-3-(dimethylamino)-1-pyridin-3-ylprop-1-enyl]phenyl]ethanol

2-[4-[(E)-3-(dimethylamino)-1-pyridin-3-ylprop-1-enyl]phenyl]ethanol (PubChem CID 170887479) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-[4-[(E)-3-(dimethylamino)-1-pyridin-3-ylprop-1-enyl]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[(E)-3-(dimethylamino)-1-pyridin-3-ylprop-1-enyl]phenyl]ethanol
PubChem CID170887479
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2-[4-[(E)-3-(dimethylamino)-1-pyridin-3-ylprop-1-enyl]phenyl]ethanol
SMILESCN(C)C/C=C(\c1ccc(CCO)cc1)c1cccnc1
InChIInChI=1S/C18H22N2O/c1-20(2)12-9-18(17-4-3-11-19-14-17)16-7-5-15(6-8-16)10-13-21/h3-9,11,14,21H,10,12-13H2,1-2H3/b18-9+
InChIKeyCMAPKWOVOPPWAD-GIJQJNRQSA-N
XLogP2.61
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-3-(4-fluorophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine
CID 12717111
(Z)-3-(4-iodophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine
CID 11291351
(E)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine;dihydrochloride
CID 54592364
(E)-5-(4-fluorophenyl)-5-pyridin-3-ylpent-4-en-1-ol
CID 15087804
N-[(E)-3-(4-bromophenyl)-3-pyridin-3-ylprop-2-enyl]-methoxy-N-methylphosphonamidic acid
CID 58600544
3-[(E)-1-phenylhex-1-enyl]pyridine
CID 67869388
(Z)-3-(4-chlorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine
CID 20838904
(E)-3-(4-fluorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine
CID 6538063
argon;2-pyridin-3-ylethanol
CID 159015973
(Z)-3-(4-fluorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine;hydrochloride
CID 21116502
(Z)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine;(1S)-N,N-dimethyl-3-naphthalen-1-yloxy-1-phenylpropan-1-amine
CID 126483479
(E)-6-[4-[2-(butylsulfonylamino)ethyl]phenyl]-6-pyridin-3-ylhex-5-enoic acid
CID 10002804

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-3-(dimethylamino)-1-pyridin-3-ylprop-1-enyl]phenyl]ethanol?
The IUPAC name of 2-[4-[(E)-3-(dimethylamino)-1-pyridin-3-ylprop-1-enyl]phenyl]ethanol (CID 170887479) is 2-[4-[(E)-3-(dimethylamino)-1-pyridin-3-ylprop-1-enyl]phenyl]ethanol.
What is the SMILES notation for 2-[4-[(E)-3-(dimethylamino)-1-pyridin-3-ylprop-1-enyl]phenyl]ethanol?
The canonical SMILES for 2-[4-[(E)-3-(dimethylamino)-1-pyridin-3-ylprop-1-enyl]phenyl]ethanol is CN(C)C/C=C(\c1ccc(CCO)cc1)c1cccnc1.
What is the InChIKey of 2-[4-[(E)-3-(dimethylamino)-1-pyridin-3-ylprop-1-enyl]phenyl]ethanol?
The InChIKey is CMAPKWOVOPPWAD-GIJQJNRQSA-N. The full InChI is InChI=1S/C18H22N2O/c1-20(2)12-9-18(17-4-3-11-19-14-17)16-7-5-15(6-8-16)10-13-21/h3-9,11,14,21H,10,12-13H2,1-2H3/b18-9+.
What are the key properties of 2-[4-[(E)-3-(dimethylamino)-1-pyridin-3-ylprop-1-enyl]phenyl]ethanol?
2-[4-[(E)-3-(dimethylamino)-1-pyridin-3-ylprop-1-enyl]phenyl]ethanol has a molecular weight of 282.39 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-3-(dimethylamino)-1-pyridin-3-ylprop-1-enyl]phenyl]ethanol is sourced from PubChem (CID 170887479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).