2-[[2-chloro-2-(4-ethoxyphenyl)ethyl]-ethylamino]ethanol

C14H22ClNO2 — CID 82214844

IUPAC2-[[2-chloro-2-(4-ethoxyphenyl)ethyl]-ethylamino]ethanol
SMILESCCOc1ccc(C(Cl)CN(CC)CCO)cc1
InChIInChI=1S/C14H22ClNO2/c1-3-16(9-10-17)11-14(15)12-5-7-13(8-6-12)18-4-2/h5-8,14,17H,3-4,9-11H2,1-2H3
InChIKeyDKPXWUGXDFYPPT-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.68
Rot. Bonds8

About 2-[[2-chloro-2-(4-ethoxyphenyl)ethyl]-ethylamino]ethanol

2-[[2-chloro-2-(4-ethoxyphenyl)ethyl]-ethylamino]ethanol (PubChem CID 82214844) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 2-[[2-chloro-2-(4-ethoxyphenyl)ethyl]-ethylamino]ethanol.

Molecular Properties

Compound Name2-[[2-chloro-2-(4-ethoxyphenyl)ethyl]-ethylamino]ethanol
PubChem CID82214844
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name2-[[2-chloro-2-(4-ethoxyphenyl)ethyl]-ethylamino]ethanol
SMILESCCOc1ccc(C(Cl)CN(CC)CCO)cc1
InChIInChI=1S/C14H22ClNO2/c1-3-16(9-10-17)11-14(15)12-5-7-13(8-6-12)18-4-2/h5-8,14,17H,3-4,9-11H2,1-2H3
InChIKeyDKPXWUGXDFYPPT-UHFFFAOYSA-N
XLogP2.68
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-chloro-2-(4-ethoxyphenyl)ethyl]-methylamino]ethanol
CID 82214847
2-[[2-chloro-2-[4-(2-methylpropyl)phenyl]ethyl]-ethylamino]ethanol
CID 82215609
2-[[2-chloro-2-(4-propan-2-ylphenyl)ethyl]-(2-hydroxyethyl)amino]ethanol
CID 82214394
2-[[2-(1,3-benzodioxol-5-yl)-2-chloroethyl]-ethylamino]ethanol
CID 82215210
2-[[2-chloro-2-(4-fluorophenyl)ethyl]-(2-hydroxyethyl)amino]ethanol
CID 82214488
2-[(2-chloro-2-phenylethyl)-(2-hydroxyethyl)amino]ethanol
CID 82214215
2-[ethyl-[2-(4-propoxyphenoxy)ethyl]amino]ethanol
CID 60685463
2-[3-(4-chlorophenoxy)propyl-ethylamino]ethanol
CID 60685925
N-[2-chloro-2-(4-ethylphenyl)ethyl]-N-ethylbutan-1-amine
CID 82214360
2-[cyclopropylmethyl(ethyl)amino]-1-(4-ethoxyphenyl)ethanol
CID 63954434
3-amino-3-(4-ethoxyphenyl)propan-1-ol
CID 3846701
1-(4-ethoxyphenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 79087914

Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-2-(4-ethoxyphenyl)ethyl]-ethylamino]ethanol?
The IUPAC name of 2-[[2-chloro-2-(4-ethoxyphenyl)ethyl]-ethylamino]ethanol (CID 82214844) is 2-[[2-chloro-2-(4-ethoxyphenyl)ethyl]-ethylamino]ethanol.
What is the SMILES notation for 2-[[2-chloro-2-(4-ethoxyphenyl)ethyl]-ethylamino]ethanol?
The canonical SMILES for 2-[[2-chloro-2-(4-ethoxyphenyl)ethyl]-ethylamino]ethanol is CCOc1ccc(C(Cl)CN(CC)CCO)cc1.
What is the InChIKey of 2-[[2-chloro-2-(4-ethoxyphenyl)ethyl]-ethylamino]ethanol?
The InChIKey is DKPXWUGXDFYPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-3-16(9-10-17)11-14(15)12-5-7-13(8-6-12)18-4-2/h5-8,14,17H,3-4,9-11H2,1-2H3.
What are the key properties of 2-[[2-chloro-2-(4-ethoxyphenyl)ethyl]-ethylamino]ethanol?
2-[[2-chloro-2-(4-ethoxyphenyl)ethyl]-ethylamino]ethanol has a molecular weight of 271.79 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-2-(4-ethoxyphenyl)ethyl]-ethylamino]ethanol is sourced from PubChem (CID 82214844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).