2-[3-(4-chlorophenoxy)propyl-ethylamino]ethanol

C13H20ClNO2 — CID 60685925

IUPAC2-[3-(4-chlorophenoxy)propyl-ethylamino]ethanol
SMILESCCN(CCO)CCCOc1ccc(Cl)cc1
InChIInChI=1S/C13H20ClNO2/c1-2-15(9-10-16)8-3-11-17-13-6-4-12(14)5-7-13/h4-7,16H,2-3,8-11H2,1H3
InChIKeyNJBHNEWEKPHDPD-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.42
Rot. Bonds8

About 2-[3-(4-chlorophenoxy)propyl-ethylamino]ethanol

2-[3-(4-chlorophenoxy)propyl-ethylamino]ethanol (PubChem CID 60685925) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 2-[3-(4-chlorophenoxy)propyl-ethylamino]ethanol.

Molecular Properties

Compound Name2-[3-(4-chlorophenoxy)propyl-ethylamino]ethanol
PubChem CID60685925
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name2-[3-(4-chlorophenoxy)propyl-ethylamino]ethanol
SMILESCCN(CCO)CCCOc1ccc(Cl)cc1
InChIInChI=1S/C13H20ClNO2/c1-2-15(9-10-16)8-3-11-17-13-6-4-12(14)5-7-13/h4-7,16H,2-3,8-11H2,1H3
InChIKeyNJBHNEWEKPHDPD-UHFFFAOYSA-N
XLogP2.42
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(4-chlorophenoxy)propyl-ethylamino]propan-1-ol
CID 115666232
2-[ethyl-[2-(4-propoxyphenoxy)ethyl]amino]ethanol
CID 60685463
[4-[3-[ethyl(2-hydroxyethyl)amino]propoxy]phenyl]-phenylmethanone
CID 58184911
2-[4-(4-chlorophenoxy)phenoxy]-N,N-diethylethanamine
CID 21318117
2-[3-(1,3-benzodioxol-5-yloxy)propyl-ethylamino]ethanol
CID 60593016
3-[4-[N-(4-chlorophenyl)-4-(3-hydroxypropoxy)anilino]phenoxy]propan-1-ol
CID 59739465
methyl 3-[2-(4-chlorophenoxy)ethyl-ethylamino]propanoate
CID 62027354
N-[2-(4-chlorophenoxy)ethyl]-N-propylpropan-1-amine
CID 5261961
N-ethyl-3-(4-fluorophenoxy)-N-propylpropan-1-amine
CID 171832104
2-[2-(6-chloroquinolin-3-yl)oxyethyl-ethylamino]ethanol
CID 123802398
2-[2-hydroxyethyl-[5-[4-[(4-octoxyphenyl)diazenyl]phenoxy]pentyl]amino]ethanol
CID 101231376
2-[4-(4-chlorophenoxy)anilino]-1-[4-[3-(diethylamino)propoxy]phenyl]ethanone
CID 66977684

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenoxy)propyl-ethylamino]ethanol?
The IUPAC name of 2-[3-(4-chlorophenoxy)propyl-ethylamino]ethanol (CID 60685925) is 2-[3-(4-chlorophenoxy)propyl-ethylamino]ethanol.
What is the SMILES notation for 2-[3-(4-chlorophenoxy)propyl-ethylamino]ethanol?
The canonical SMILES for 2-[3-(4-chlorophenoxy)propyl-ethylamino]ethanol is CCN(CCO)CCCOc1ccc(Cl)cc1.
What is the InChIKey of 2-[3-(4-chlorophenoxy)propyl-ethylamino]ethanol?
The InChIKey is NJBHNEWEKPHDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-2-15(9-10-16)8-3-11-17-13-6-4-12(14)5-7-13/h4-7,16H,2-3,8-11H2,1H3.
What are the key properties of 2-[3-(4-chlorophenoxy)propyl-ethylamino]ethanol?
2-[3-(4-chlorophenoxy)propyl-ethylamino]ethanol has a molecular weight of 257.76 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenoxy)propyl-ethylamino]ethanol is sourced from PubChem (CID 60685925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).