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

C13H20ClNO2 — CID 82214847

IUPAC2-[[2-chloro-2-(4-ethoxyphenyl)ethyl]-methylamino]ethanol
SMILESCCOc1ccc(C(Cl)CN(C)CCO)cc1
InChIInChI=1S/C13H20ClNO2/c1-3-17-12-6-4-11(5-7-12)13(14)10-15(2)8-9-16/h4-7,13,16H,3,8-10H2,1-2H3
InChIKeyWYHCVJUFQOEYSM-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.29
Rot. Bonds7

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

2-[[2-chloro-2-(4-ethoxyphenyl)ethyl]-methylamino]ethanol (PubChem CID 82214847) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 2-[[2-chloro-2-(4-ethoxyphenyl)ethyl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[2-chloro-2-(4-ethoxyphenyl)ethyl]-methylamino]ethanol
PubChem CID82214847
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name2-[[2-chloro-2-(4-ethoxyphenyl)ethyl]-methylamino]ethanol
SMILESCCOc1ccc(C(Cl)CN(C)CCO)cc1
InChIInChI=1S/C13H20ClNO2/c1-3-17-12-6-4-11(5-7-12)13(14)10-15(2)8-9-16/h4-7,13,16H,3,8-10H2,1-2H3
InChIKeyWYHCVJUFQOEYSM-UHFFFAOYSA-N
XLogP2.29
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.29
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]-ethylamino]ethanol
CID 82214844
1-[2-hydroxyethyl(methyl)amino]-3-[4-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propoxy]phenoxy]propan-2-ol
CID 3638612
3-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]-methylamino]propanoic acid
CID 82216131
1-(4-ethoxyphenyl)-N,N'-dimethyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 81035249
N'-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63693996
4-(dimethylamino)-4-(4-ethoxyphenyl)butan-1-ol
CID 116907779
1-(4-ethoxyphenyl)-N'-methyl-N'-pentylethane-1,2-diamine
CID 43294826
N-(4-ethoxyphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 60683543
3-amino-3-(4-ethoxyphenyl)propan-1-ol
CID 3846701
2-[[2-chloro-2-(4-propan-2-ylphenyl)ethyl]-(2-hydroxyethyl)amino]ethanol
CID 82214394
ethyl 4-chloro-4-(4-ethoxyphenyl)butanoate
CID 82366898
2-[2-(4-ethoxyphenoxy)ethyl-methylamino]-2-methylpropan-1-ol
CID 115638131

Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-2-(4-ethoxyphenyl)ethyl]-methylamino]ethanol?
The IUPAC name of 2-[[2-chloro-2-(4-ethoxyphenyl)ethyl]-methylamino]ethanol (CID 82214847) is 2-[[2-chloro-2-(4-ethoxyphenyl)ethyl]-methylamino]ethanol.
What is the SMILES notation for 2-[[2-chloro-2-(4-ethoxyphenyl)ethyl]-methylamino]ethanol?
The canonical SMILES for 2-[[2-chloro-2-(4-ethoxyphenyl)ethyl]-methylamino]ethanol is CCOc1ccc(C(Cl)CN(C)CCO)cc1.
What is the InChIKey of 2-[[2-chloro-2-(4-ethoxyphenyl)ethyl]-methylamino]ethanol?
The InChIKey is WYHCVJUFQOEYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-3-17-12-6-4-11(5-7-12)13(14)10-15(2)8-9-16/h4-7,13,16H,3,8-10H2,1-2H3.
What are the key properties of 2-[[2-chloro-2-(4-ethoxyphenyl)ethyl]-methylamino]ethanol?
2-[[2-chloro-2-(4-ethoxyphenyl)ethyl]-methylamino]ethanol has a molecular weight of 257.76 g/mol, XLogP of 2.29, 7 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]-methylamino]ethanol is sourced from PubChem (CID 82214847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).