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

C13H19Cl2NO — CID 60689446

IUPAC2-[butyl-[(3,4-dichlorophenyl)methyl]amino]ethanol
SMILESCCCCN(CCO)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H19Cl2NO/c1-2-3-6-16(7-8-17)10-11-4-5-12(14)13(15)9-11/h4-5,9,17H,2-3,6-8,10H2,1H3
InChIKeyYLFLWPICJRSHHR-UHFFFAOYSA-N
MW276.21 g/mol
LogP3.59
Rot. Bonds7

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

2-[butyl-[(3,4-dichlorophenyl)methyl]amino]ethanol (PubChem CID 60689446) has the molecular formula C13H19Cl2NO and a molecular weight of 276.21 g/mol. Its IUPAC name is 2-[butyl-[(3,4-dichlorophenyl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[butyl-[(3,4-dichlorophenyl)methyl]amino]ethanol
PubChem CID60689446
Molecular FormulaC13H19Cl2NO
Molecular Weight276.21 g/mol
Exact Mass275.08
IUPAC Name2-[butyl-[(3,4-dichlorophenyl)methyl]amino]ethanol
SMILESCCCCN(CCO)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H19Cl2NO/c1-2-3-6-16(7-8-17)10-11-4-5-12(14)13(15)9-11/h4-5,9,17H,2-3,6-8,10H2,1H3
InChIKeyYLFLWPICJRSHHR-UHFFFAOYSA-N
XLogP3.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[butyl-[(2-chlorophenyl)methyl]amino]ethanol
CID 60689529
N'-[(3,4-dichlorophenyl)methyl]-N,N,N'-triethylethane-1,2-diamine
CID 2058180
3-[(3,4-dichlorophenyl)methyl-propylamino]propanoic acid
CID 82327861
N-butyl-N-[(4-chloro-3-nitrophenyl)methyl]butan-1-amine
CID 43350299
N',N'-dibutyl-N-[(3,4-dichlorophenyl)methyl]ethane-1,2-diamine
CID 135305476
5-[[butyl(2-hydroxyethyl)amino]methyl]-2-fluorobenzenecarbothioamide
CID 107879260
2-[butyl-[[6-(methylamino)-3-pyridinyl]methyl]amino]ethanol
CID 62184221
3-[(3-chloro-4-fluorophenyl)methyl-ethylamino]propan-1-ol
CID 103887243
2-[(5-bromo-3-pyridinyl)methyl-butylamino]ethanol
CID 115586341
2-[benzyl(nonyl)amino]ethanol
CID 63469962
2-[(3,4-dibromophenyl)methyl-propylamino]ethanol
CID 115880013
2-[butyl-[(2-chloro-3-pyridinyl)methyl]amino]ethanol
CID 62469822

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[(3,4-dichlorophenyl)methyl]amino]ethanol?
The IUPAC name of 2-[butyl-[(3,4-dichlorophenyl)methyl]amino]ethanol (CID 60689446) is 2-[butyl-[(3,4-dichlorophenyl)methyl]amino]ethanol.
What is the SMILES notation for 2-[butyl-[(3,4-dichlorophenyl)methyl]amino]ethanol?
The canonical SMILES for 2-[butyl-[(3,4-dichlorophenyl)methyl]amino]ethanol is CCCCN(CCO)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[butyl-[(3,4-dichlorophenyl)methyl]amino]ethanol?
The InChIKey is YLFLWPICJRSHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO/c1-2-3-6-16(7-8-17)10-11-4-5-12(14)13(15)9-11/h4-5,9,17H,2-3,6-8,10H2,1H3.
What are the key properties of 2-[butyl-[(3,4-dichlorophenyl)methyl]amino]ethanol?
2-[butyl-[(3,4-dichlorophenyl)methyl]amino]ethanol has a molecular weight of 276.21 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[(3,4-dichlorophenyl)methyl]amino]ethanol is sourced from PubChem (CID 60689446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).