2-[(3,5-dichloro-4-pyridinyl)methyl-[(E)-3-phenylprop-2-enyl]amino]ethanol

C17H18Cl2N2O — CID 46983801

IUPAC2-[(3,5-dichloro-4-pyridinyl)methyl-[(E)-3-phenylprop-2-enyl]amino]ethanol
SMILESOCCN(C/C=C/c1ccccc1)Cc1c(Cl)cncc1Cl
InChIInChI=1S/C17H18Cl2N2O/c18-16-11-20-12-17(19)15(16)13-21(9-10-22)8-4-7-14-5-2-1-3-6-14/h1-7,11-12,22H,8-10,13H2/b7-4+
InChIKeyUHEOZINAULWITB-QPJJXVBHSA-N
MW337.25 g/mol
LogP3.90
Rot. Bonds7

About 2-[(3,5-dichloro-4-pyridinyl)methyl-[(E)-3-phenylprop-2-enyl]amino]ethanol

2-[(3,5-dichloro-4-pyridinyl)methyl-[(E)-3-phenylprop-2-enyl]amino]ethanol (PubChem CID 46983801) has the molecular formula C17H18Cl2N2O and a molecular weight of 337.25 g/mol. Its IUPAC name is 2-[(3,5-dichloro-4-pyridinyl)methyl-[(E)-3-phenylprop-2-enyl]amino]ethanol.

Molecular Properties

Compound Name2-[(3,5-dichloro-4-pyridinyl)methyl-[(E)-3-phenylprop-2-enyl]amino]ethanol
PubChem CID46983801
Molecular FormulaC17H18Cl2N2O
Molecular Weight337.25 g/mol
Exact Mass336.08
IUPAC Name2-[(3,5-dichloro-4-pyridinyl)methyl-[(E)-3-phenylprop-2-enyl]amino]ethanol
SMILESOCCN(C/C=C/c1ccccc1)Cc1c(Cl)cncc1Cl
InChIInChI=1S/C17H18Cl2N2O/c18-16-11-20-12-17(19)15(16)13-21(9-10-22)8-4-7-14-5-2-1-3-6-14/h1-7,11-12,22H,8-10,13H2/b7-4+
InChIKeyUHEOZINAULWITB-QPJJXVBHSA-N
XLogP3.90
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]amino]ethanol
CID 40514905
2-[methyl-[(E)-3-phenylprop-2-enyl]amino]ethanol
CID 14988338
2-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl-(3-phenylprop-2-enyl)amino]ethanol
CID 171145740
2-[[(E)-3-phenylprop-2-enyl]-[(1-propan-2-ylbenzimidazol-2-yl)methyl]amino]ethanol
CID 46999098
2-[benzyl-[(2,6-dichlorophenyl)methyl]amino]ethanol
CID 6456340
9-hydroxy-2-[[2-hydroxyethyl-[(E)-3-phenylprop-2-enyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 118760940
3-phenyl-N-(2-phenylethyl)-N-(3-phenylprop-2-enyl)prop-2-en-1-amine
CID 3462468
N-(1,5-dimethylpyrazol-4-yl)-2-[2-hydroxyethyl(3-phenylprop-2-enyl)amino]acetamide
CID 171139923
2-[(1-benzylpyrazol-4-yl)methyl-(3-chloroprop-2-enyl)amino]ethanol
CID 111488919
N-(2-hydroxyethyl)-4-methyl-N-(3-phenylprop-2-enyl)pyrimidine-5-carboxamide
CID 171134622
2-[(2-chloro-6-fluorophenyl)methyl-prop-2-enylamino]ethanol
CID 115631698
N'-ethyl-N,N-dimethyl-N'-(3-phenylprop-2-enyl)ethane-1,2-diamine
CID 2845846

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichloro-4-pyridinyl)methyl-[(E)-3-phenylprop-2-enyl]amino]ethanol?
The IUPAC name of 2-[(3,5-dichloro-4-pyridinyl)methyl-[(E)-3-phenylprop-2-enyl]amino]ethanol (CID 46983801) is 2-[(3,5-dichloro-4-pyridinyl)methyl-[(E)-3-phenylprop-2-enyl]amino]ethanol.
What is the SMILES notation for 2-[(3,5-dichloro-4-pyridinyl)methyl-[(E)-3-phenylprop-2-enyl]amino]ethanol?
The canonical SMILES for 2-[(3,5-dichloro-4-pyridinyl)methyl-[(E)-3-phenylprop-2-enyl]amino]ethanol is OCCN(C/C=C/c1ccccc1)Cc1c(Cl)cncc1Cl.
What is the InChIKey of 2-[(3,5-dichloro-4-pyridinyl)methyl-[(E)-3-phenylprop-2-enyl]amino]ethanol?
The InChIKey is UHEOZINAULWITB-QPJJXVBHSA-N. The full InChI is InChI=1S/C17H18Cl2N2O/c18-16-11-20-12-17(19)15(16)13-21(9-10-22)8-4-7-14-5-2-1-3-6-14/h1-7,11-12,22H,8-10,13H2/b7-4+.
What are the key properties of 2-[(3,5-dichloro-4-pyridinyl)methyl-[(E)-3-phenylprop-2-enyl]amino]ethanol?
2-[(3,5-dichloro-4-pyridinyl)methyl-[(E)-3-phenylprop-2-enyl]amino]ethanol has a molecular weight of 337.25 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichloro-4-pyridinyl)methyl-[(E)-3-phenylprop-2-enyl]amino]ethanol is sourced from PubChem (CID 46983801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).