2-[2-(2-chloro-4-methylphenoxy)ethylamino]ethanol

C11H16ClNO2 — CID 2262928

IUPAC2-[2-(2-chloro-4-methylphenoxy)ethylamino]ethanol
SMILESCc1ccc(OCCNCCO)c(Cl)c1
InChIInChI=1S/C11H16ClNO2/c1-9-2-3-11(10(12)8-9)15-7-5-13-4-6-14/h2-3,8,13-14H,4-7H2,1H3
InChIKeyMEOZKCMDSJHNER-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.61
Rot. Bonds6

About 2-[2-(2-chloro-4-methylphenoxy)ethylamino]ethanol

2-[2-(2-chloro-4-methylphenoxy)ethylamino]ethanol (PubChem CID 2262928) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 2-[2-(2-chloro-4-methylphenoxy)ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-(2-chloro-4-methylphenoxy)ethylamino]ethanol
PubChem CID2262928
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name2-[2-(2-chloro-4-methylphenoxy)ethylamino]ethanol
SMILESCc1ccc(OCCNCCO)c(Cl)c1
InChIInChI=1S/C11H16ClNO2/c1-9-2-3-11(10(12)8-9)15-7-5-13-4-6-14/h2-3,8,13-14H,4-7H2,1H3
InChIKeyMEOZKCMDSJHNER-UHFFFAOYSA-N
XLogP1.61
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.61
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

3-(2-chloro-4-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62671685
N-[2-(2-chloro-4-methylphenoxy)ethyl]-3-methylbutan-1-amine
CID 62672412
2-(2-chloro-4-methylphenoxy)ethylcarbamic acid
CID 146277340
N-[2-(2-chloro-4-methylphenoxy)ethyl]acetamide
CID 71171524
N-[2-(2-chloro-4-methylphenoxy)ethyl]-2-methylpropan-2-amine
CID 2261894
N-[2-(2-chloro-4-methylphenoxy)ethyl]cyclopropanamine
CID 62671091
N-[2-(2-chloro-5-methylphenoxy)ethyl]butan-1-amine
CID 27274455
2-[3-(4-methyl-2-phenylphenoxy)propylamino]ethanol
CID 70495492
(2R)-N-[2-(2-chloro-4-methylphenoxy)ethyl]butan-2-amine
CID 2183230
N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-methylbutan-1-amine
CID 62599104
N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-ethoxypropan-1-amine
CID 55093300
N-[2-(2-chloro-5-methylphenoxy)ethyl]butan-1-amine;oxalic acid
CID 44782341

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloro-4-methylphenoxy)ethylamino]ethanol?
The IUPAC name of 2-[2-(2-chloro-4-methylphenoxy)ethylamino]ethanol (CID 2262928) is 2-[2-(2-chloro-4-methylphenoxy)ethylamino]ethanol.
What is the SMILES notation for 2-[2-(2-chloro-4-methylphenoxy)ethylamino]ethanol?
The canonical SMILES for 2-[2-(2-chloro-4-methylphenoxy)ethylamino]ethanol is Cc1ccc(OCCNCCO)c(Cl)c1.
What is the InChIKey of 2-[2-(2-chloro-4-methylphenoxy)ethylamino]ethanol?
The InChIKey is MEOZKCMDSJHNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2/c1-9-2-3-11(10(12)8-9)15-7-5-13-4-6-14/h2-3,8,13-14H,4-7H2,1H3.
What are the key properties of 2-[2-(2-chloro-4-methylphenoxy)ethylamino]ethanol?
2-[2-(2-chloro-4-methylphenoxy)ethylamino]ethanol has a molecular weight of 229.71 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloro-4-methylphenoxy)ethylamino]ethanol is sourced from PubChem (CID 2262928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).