2-[(2,5-dichlorophenyl)methyl-prop-2-enylamino]ethanol

C12H15Cl2NO — CID 115647773

IUPAC2-[(2,5-dichlorophenyl)methyl-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H15Cl2NO/c1-2-5-15(6-7-16)9-10-8-11(13)3-4-12(10)14/h2-4,8,16H,1,5-7,9H2
InChIKeyBHLBOYZGTHABPW-UHFFFAOYSA-N
MW260.16 g/mol
LogP2.97
Rot. Bonds6

About 2-[(2,5-dichlorophenyl)methyl-prop-2-enylamino]ethanol

2-[(2,5-dichlorophenyl)methyl-prop-2-enylamino]ethanol (PubChem CID 115647773) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is 2-[(2,5-dichlorophenyl)methyl-prop-2-enylamino]ethanol.

Molecular Properties

Compound Name2-[(2,5-dichlorophenyl)methyl-prop-2-enylamino]ethanol
PubChem CID115647773
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name2-[(2,5-dichlorophenyl)methyl-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H15Cl2NO/c1-2-5-15(6-7-16)9-10-8-11(13)3-4-12(10)14/h2-4,8,16H,1,5-7,9H2
InChIKeyBHLBOYZGTHABPW-UHFFFAOYSA-N
XLogP2.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[5-chloro-2-(difluoromethoxy)phenyl]methyl-prop-2-enylamino]ethanol
CID 115631731
2-[(2,4-dichlorophenyl)methyl-(2-hydroxyethyl)amino]ethanol
CID 35268423
N-[(2,4-dichlorophenyl)methyl]-N-prop-2-enylprop-2-en-1-amine
CID 3936376
2-[(2-chloro-4-methoxyphenyl)methyl-prop-2-enylamino]ethanol
CID 111824360
2-[(2-chloro-6-fluorophenyl)methyl-prop-2-enylamino]ethanol
CID 115631698
2-[(2-methylphenyl)methyl-prop-2-enylamino]ethanol
CID 111423251
2-[(2,6-difluorophenyl)methyl-prop-2-enylamino]ethanol
CID 115883250
2-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl-prop-2-enylamino]ethanol
CID 111423231
2-[[5-[(tert-butylamino)methyl]-2-fluorophenyl]methyl-prop-2-enylamino]ethanol
CID 107455662
2-[(4-propan-2-ylphenyl)methyl-prop-2-enylamino]ethanol
CID 115631692
2-[(2-methoxyphenyl)methyl-prop-2-enylamino]ethanol
CID 115610796
2-[(5-chloro-2-methoxyphenyl)methyl-ethylamino]ethanol
CID 60686064

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorophenyl)methyl-prop-2-enylamino]ethanol?
The IUPAC name of 2-[(2,5-dichlorophenyl)methyl-prop-2-enylamino]ethanol (CID 115647773) is 2-[(2,5-dichlorophenyl)methyl-prop-2-enylamino]ethanol.
What is the SMILES notation for 2-[(2,5-dichlorophenyl)methyl-prop-2-enylamino]ethanol?
The canonical SMILES for 2-[(2,5-dichlorophenyl)methyl-prop-2-enylamino]ethanol is C=CCN(CCO)Cc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[(2,5-dichlorophenyl)methyl-prop-2-enylamino]ethanol?
The InChIKey is BHLBOYZGTHABPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c1-2-5-15(6-7-16)9-10-8-11(13)3-4-12(10)14/h2-4,8,16H,1,5-7,9H2.
What are the key properties of 2-[(2,5-dichlorophenyl)methyl-prop-2-enylamino]ethanol?
2-[(2,5-dichlorophenyl)methyl-prop-2-enylamino]ethanol has a molecular weight of 260.16 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorophenyl)methyl-prop-2-enylamino]ethanol is sourced from PubChem (CID 115647773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).