2-[2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]ethyl-methylamino]ethanol

C15H24ClNO3 — CID 2280418

IUPAC2-[2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]ethyl-methylamino]ethanol
SMILESCc1cc(OCCOCCN(C)CCO)cc(C)c1Cl
InChIInChI=1S/C15H24ClNO3/c1-12-10-14(11-13(2)15(12)16)20-9-8-19-7-5-17(3)4-6-18/h10-11,18H,4-9H2,1-3H3
InChIKeyUFTCRLVUMPVXFE-UHFFFAOYSA-N
MW301.81 g/mol
LogP2.28
Rot. Bonds9

About 2-[2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]ethyl-methylamino]ethanol

2-[2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]ethyl-methylamino]ethanol (PubChem CID 2280418) has the molecular formula C15H24ClNO3 and a molecular weight of 301.81 g/mol. Its IUPAC name is 2-[2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]ethyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]ethyl-methylamino]ethanol
PubChem CID2280418
Molecular FormulaC15H24ClNO3
Molecular Weight301.81 g/mol
Exact Mass301.14
IUPAC Name2-[2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]ethyl-methylamino]ethanol
SMILESCc1cc(OCCOCCN(C)CCO)cc(C)c1Cl
InChIInChI=1S/C15H24ClNO3/c1-12-10-14(11-13(2)15(12)16)20-9-8-19-7-5-17(3)4-6-18/h10-11,18H,4-9H2,1-3H3
InChIKeyUFTCRLVUMPVXFE-UHFFFAOYSA-N
XLogP2.28
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.81
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-Chloro-3,5-xylyloxy)-ethanol
CID 79900
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
1,2-Propanediol, 3-(4-chloro-3,5-dimethylphenoxy)-
CID 113934
1-[(4-Chloro-3,5-dimethylphenoxy)acetyl]pyrrolidine
CID 808142
4-Chloro-3,5-dimethylphenyl morpholine-4-carboxylate
CID 977157
2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-N,N-diethylethanamine
CID 2246186
2-{[5-(4-Chloro-3-methylphenoxy)pentyl]amino}ethanol
CID 2250588
Cambridge id 5735273
CID 2262399
{2-[2-(4-Chloro-3-ethylphenoxy)ethoxy]ethyl}dimethylamine oxalate
CID 2933999
[2-(4-Chloro-3-ethylphenoxy)ethyl]dimethylamine oxalate
CID 2936096

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]ethyl-methylamino]ethanol?
The IUPAC name of 2-[2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]ethyl-methylamino]ethanol (CID 2280418) is 2-[2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]ethyl-methylamino]ethanol.
What is the SMILES notation for 2-[2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]ethyl-methylamino]ethanol?
The canonical SMILES for 2-[2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]ethyl-methylamino]ethanol is Cc1cc(OCCOCCN(C)CCO)cc(C)c1Cl.
What is the InChIKey of 2-[2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]ethyl-methylamino]ethanol?
The InChIKey is UFTCRLVUMPVXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO3/c1-12-10-14(11-13(2)15(12)16)20-9-8-19-7-5-17(3)4-6-18/h10-11,18H,4-9H2,1-3H3.
What are the key properties of 2-[2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]ethyl-methylamino]ethanol?
2-[2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]ethyl-methylamino]ethanol has a molecular weight of 301.81 g/mol, XLogP of 2.28, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]ethyl-methylamino]ethanol is sourced from PubChem (CID 2280418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).