2-[2-(2-chlorophenoxy)ethyl-propan-2-ylamino]ethanol

C13H20ClNO2 — CID 60691858

IUPAC2-[2-(2-chlorophenoxy)ethyl-propan-2-ylamino]ethanol
SMILESCC(C)N(CCO)CCOc1ccccc1Cl
InChIInChI=1S/C13H20ClNO2/c1-11(2)15(7-9-16)8-10-17-13-6-4-3-5-12(13)14/h3-6,11,16H,7-10H2,1-2H3
InChIKeyWGMBCYMSPKFMDV-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.42
Rot. Bonds7

About 2-[2-(2-chlorophenoxy)ethyl-propan-2-ylamino]ethanol

2-[2-(2-chlorophenoxy)ethyl-propan-2-ylamino]ethanol (PubChem CID 60691858) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 2-[2-(2-chlorophenoxy)ethyl-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[2-(2-chlorophenoxy)ethyl-propan-2-ylamino]ethanol
PubChem CID60691858
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name2-[2-(2-chlorophenoxy)ethyl-propan-2-ylamino]ethanol
SMILESCC(C)N(CCO)CCOc1ccccc1Cl
InChIInChI=1S/C13H20ClNO2/c1-11(2)15(7-9-16)8-10-17-13-6-4-3-5-12(13)14/h3-6,11,16H,7-10H2,1-2H3
InChIKeyWGMBCYMSPKFMDV-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2,4-dichlorophenoxy)ethyl-propan-2-ylamino]ethanol
CID 60691948
2-[3-(2-aminophenoxy)propyl-propan-2-ylamino]ethanol
CID 54996120
3-[2-(2-methoxyphenoxy)ethyl-propan-2-ylamino]propan-1-ol
CID 63365326
(2S)-2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpropanamide
CID 93368333
2-[2-(2-chlorophenoxy)ethyl-cyclopentylamino]ethanol
CID 62014085
N-[2-(2-chlorophenoxy)ethyl]-4-hydroxy-N-methylpentanamide
CID 79200106
2-[2-phenylmethoxyethyl(propan-2-yl)amino]ethanol
CID 130537128
2-[2-(3-methylphenoxy)ethyl-propan-2-ylamino]ethanol
CID 60691972
1-chloro-2-(4-methylpentoxy)benzene
CID 59060951
2-[2-(2-fluorophenoxy)ethyl-pentan-3-ylamino]ethanol
CID 62015678
2-[carboxymethyl-[2-(2-chlorophenoxy)ethyl]amino]acetic acid
CID 63646826
1-butoxy-2-chlorobenzene;2-(2-hydroxyethoxy)ethanol
CID 22382209

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenoxy)ethyl-propan-2-ylamino]ethanol?
The IUPAC name of 2-[2-(2-chlorophenoxy)ethyl-propan-2-ylamino]ethanol (CID 60691858) is 2-[2-(2-chlorophenoxy)ethyl-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[2-(2-chlorophenoxy)ethyl-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[2-(2-chlorophenoxy)ethyl-propan-2-ylamino]ethanol is CC(C)N(CCO)CCOc1ccccc1Cl.
What is the InChIKey of 2-[2-(2-chlorophenoxy)ethyl-propan-2-ylamino]ethanol?
The InChIKey is WGMBCYMSPKFMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-11(2)15(7-9-16)8-10-17-13-6-4-3-5-12(13)14/h3-6,11,16H,7-10H2,1-2H3.
What are the key properties of 2-[2-(2-chlorophenoxy)ethyl-propan-2-ylamino]ethanol?
2-[2-(2-chlorophenoxy)ethyl-propan-2-ylamino]ethanol has a molecular weight of 257.76 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenoxy)ethyl-propan-2-ylamino]ethanol is sourced from PubChem (CID 60691858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).