2-[(3,4-dichlorophenyl)methyl-propylamino]ethanol

C12H17Cl2NO — CID 782989

IUPAC2-[(3,4-dichlorophenyl)methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H17Cl2NO/c1-2-5-15(6-7-16)9-10-3-4-11(13)12(14)8-10/h3-4,8,16H,2,5-7,9H2,1H3
InChIKeyFOLUVIWEWZTFTB-UHFFFAOYSA-N
MW262.18 g/mol
LogP3.20
Rot. Bonds6

About 2-[(3,4-dichlorophenyl)methyl-propylamino]ethanol

2-[(3,4-dichlorophenyl)methyl-propylamino]ethanol (PubChem CID 782989) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methyl-propylamino]ethanol.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methyl-propylamino]ethanol
PubChem CID782989
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name2-[(3,4-dichlorophenyl)methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H17Cl2NO/c1-2-5-15(6-7-16)9-10-3-4-11(13)12(14)8-10/h3-4,8,16H,2,5-7,9H2,1H3
InChIKeyFOLUVIWEWZTFTB-UHFFFAOYSA-N
XLogP3.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methyl-propylamino]ethanol?
The IUPAC name of 2-[(3,4-dichlorophenyl)methyl-propylamino]ethanol (CID 782989) is 2-[(3,4-dichlorophenyl)methyl-propylamino]ethanol.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methyl-propylamino]ethanol?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methyl-propylamino]ethanol is CCCN(CCO)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methyl-propylamino]ethanol?
The InChIKey is FOLUVIWEWZTFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO/c1-2-5-15(6-7-16)9-10-3-4-11(13)12(14)8-10/h3-4,8,16H,2,5-7,9H2,1H3.
What are the key properties of 2-[(3,4-dichlorophenyl)methyl-propylamino]ethanol?
2-[(3,4-dichlorophenyl)methyl-propylamino]ethanol has a molecular weight of 262.18 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)methyl-propylamino]ethanol is sourced from PubChem (CID 782989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).