2-[3-(4-chlorophenyl)propyl-(2-hydroxyethyl)amino]ethanol

C13H20ClNO2 — CID 111487786

IUPAC2-[3-(4-chlorophenyl)propyl-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)CCCc1ccc(Cl)cc1
InChIInChI=1S/C13H20ClNO2/c14-13-5-3-12(4-6-13)2-1-7-15(8-10-16)9-11-17/h3-6,16-17H,1-2,7-11H2
InChIKeyHMXOOAOZGUYLRO-UHFFFAOYSA-N
MW257.76 g/mol
LogP1.56
Rot. Bonds8

About 2-[3-(4-chlorophenyl)propyl-(2-hydroxyethyl)amino]ethanol

2-[3-(4-chlorophenyl)propyl-(2-hydroxyethyl)amino]ethanol (PubChem CID 111487786) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)propyl-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)propyl-(2-hydroxyethyl)amino]ethanol
PubChem CID111487786
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name2-[3-(4-chlorophenyl)propyl-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)CCCc1ccc(Cl)cc1
InChIInChI=1S/C13H20ClNO2/c14-13-5-3-12(4-6-13)2-1-7-15(8-10-16)9-11-17/h3-6,16-17H,1-2,7-11H2
InChIKeyHMXOOAOZGUYLRO-UHFFFAOYSA-N
XLogP1.56
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N-[3-(4-chlorophenyl)propyl]butan-1-amine
CID 151532022
2-[butyl-[3-(4-methylphenyl)propyl]amino]ethanol
CID 138716721
3-[3-(4-chlorophenyl)propyl-[2-(2-fluorophenoxy)ethyl]amino]propan-1-ol
CID 54090367
2-[2-hydroxyethyl(5-phenylpentyl)amino]ethanol
CID 18933224
2-[2-hydroxyethyl-[3-[4-(phenoxymethyl)phenyl]propyl]amino]ethanol
CID 29761
3-[4-(4-chlorophenyl)phenyl]-N,N-dimethylpropan-1-amine
CID 10757306
[4-[2-(4-chlorophenyl)ethyl]phenyl]methanol
CID 118032824
3-[3-(4-chlorophenyl)propyl-methylamino]propanoic acid
CID 19776431
1-(10-bromodecyl)-4-chlorobenzene
CID 10782757
2-[benzyl(4-phenylbutyl)amino]ethanol
CID 114334509
2-[3-(4-chlorophenyl)propylsulfonyl]ethanol
CID 71972664
2-[6-(4-chlorophenyl)hexoxy]ethanol
CID 54545244

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)propyl-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[3-(4-chlorophenyl)propyl-(2-hydroxyethyl)amino]ethanol (CID 111487786) is 2-[3-(4-chlorophenyl)propyl-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[3-(4-chlorophenyl)propyl-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[3-(4-chlorophenyl)propyl-(2-hydroxyethyl)amino]ethanol is OCCN(CCO)CCCc1ccc(Cl)cc1.
What is the InChIKey of 2-[3-(4-chlorophenyl)propyl-(2-hydroxyethyl)amino]ethanol?
The InChIKey is HMXOOAOZGUYLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c14-13-5-3-12(4-6-13)2-1-7-15(8-10-16)9-11-17/h3-6,16-17H,1-2,7-11H2.
What are the key properties of 2-[3-(4-chlorophenyl)propyl-(2-hydroxyethyl)amino]ethanol?
2-[3-(4-chlorophenyl)propyl-(2-hydroxyethyl)amino]ethanol has a molecular weight of 257.76 g/mol, XLogP of 1.56, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)propyl-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 111487786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).