2-[2-(4-chloro-3,5-dimethylphenoxy)ethylamino]ethanol

C12H18ClNO2 — CID 2262399

IUPAC2-[2-(4-chloro-3,5-dimethylphenoxy)ethylamino]ethanol
SMILESCc1cc(OCCNCCO)cc(C)c1Cl
InChIInChI=1S/C12H18ClNO2/c1-9-7-11(8-10(2)12(9)13)16-6-4-14-3-5-15/h7-8,14-15H,3-6H2,1-2H3
InChIKeyIZQWEMQVQGNPDR-UHFFFAOYSA-N
MW243.73 g/mol
LogP1.92
Rot. Bonds6

About 2-[2-(4-chloro-3,5-dimethylphenoxy)ethylamino]ethanol

2-[2-(4-chloro-3,5-dimethylphenoxy)ethylamino]ethanol (PubChem CID 2262399) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 2-[2-(4-chloro-3,5-dimethylphenoxy)ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-(4-chloro-3,5-dimethylphenoxy)ethylamino]ethanol
PubChem CID2262399
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name2-[2-(4-chloro-3,5-dimethylphenoxy)ethylamino]ethanol
SMILESCc1cc(OCCNCCO)cc(C)c1Cl
InChIInChI=1S/C12H18ClNO2/c1-9-7-11(8-10(2)12(9)13)16-6-4-14-3-5-15/h7-8,14-15H,3-6H2,1-2H3
InChIKeyIZQWEMQVQGNPDR-UHFFFAOYSA-N
XLogP1.92
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-isopropylacetamide
CID 883710
2-(4-Chloro-3,5-dimethyl-phenoxy)-N-isopropyl-acetamide
CID 808118
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 753655
4-[2-(4-Chloro-3-methylphenoxy)ethyl]morpholine
CID 869329
1-(4-Chloro-3,5-dimethylphenoxy)-3-(1-pyrrolidinyl)-2-propanol hydrochloride
CID 2874868
1-Amino-3-(4-chloro-3-methylphenoxy)propan-2-ol
CID 3387132
2-(4-Chloro-3,5-dimethyl-phenoxy)-N-(3-morpholin-4-yl-propyl)-acetamide
CID 654862
2-(4-chloro-3-methylphenoxy)-N-(2-hydroxyethyl)acetamide
CID 2183921
2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-N,N-diethylethanamine
CID 2246186
2-[5-(3,5-Dimethylphenoxy)pentylamino]ethanol
CID 2249966
2-{[5-(4-Chloro-3-methylphenoxy)pentyl]amino}ethanol
CID 2250588
2-[{2-[2-(4-Chloro-3,5-dimethylphenoxy)ethoxy]ethyl}(methyl)amino]ethanol
CID 2280418

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chloro-3,5-dimethylphenoxy)ethylamino]ethanol?
The IUPAC name of 2-[2-(4-chloro-3,5-dimethylphenoxy)ethylamino]ethanol (CID 2262399) is 2-[2-(4-chloro-3,5-dimethylphenoxy)ethylamino]ethanol.
What is the SMILES notation for 2-[2-(4-chloro-3,5-dimethylphenoxy)ethylamino]ethanol?
The canonical SMILES for 2-[2-(4-chloro-3,5-dimethylphenoxy)ethylamino]ethanol is Cc1cc(OCCNCCO)cc(C)c1Cl.
What is the InChIKey of 2-[2-(4-chloro-3,5-dimethylphenoxy)ethylamino]ethanol?
The InChIKey is IZQWEMQVQGNPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/c1-9-7-11(8-10(2)12(9)13)16-6-4-14-3-5-15/h7-8,14-15H,3-6H2,1-2H3.
What are the key properties of 2-[2-(4-chloro-3,5-dimethylphenoxy)ethylamino]ethanol?
2-[2-(4-chloro-3,5-dimethylphenoxy)ethylamino]ethanol has a molecular weight of 243.73 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chloro-3,5-dimethylphenoxy)ethylamino]ethanol is sourced from PubChem (CID 2262399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).