2-[2,4-dichloro-6-[(2-methoxyethylamino)methyl]phenoxy]ethanol

C12H17Cl2NO3 — CID 63058152

IUPAC2-[2,4-dichloro-6-[(2-methoxyethylamino)methyl]phenoxy]ethanol
SMILESCOCCNCc1cc(Cl)cc(Cl)c1OCCO
InChIInChI=1S/C12H17Cl2NO3/c1-17-4-2-15-8-9-6-10(13)7-11(14)12(9)18-5-3-16/h6-7,15-16H,2-5,8H2,1H3
InChIKeyLAXDMYQQGOJMAW-UHFFFAOYSA-N
MW294.18 g/mol
LogP2.10
Rot. Bonds8

About 2-[2,4-dichloro-6-[(2-methoxyethylamino)methyl]phenoxy]ethanol

2-[2,4-dichloro-6-[(2-methoxyethylamino)methyl]phenoxy]ethanol (PubChem CID 63058152) has the molecular formula C12H17Cl2NO3 and a molecular weight of 294.18 g/mol. Its IUPAC name is 2-[2,4-dichloro-6-[(2-methoxyethylamino)methyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[2,4-dichloro-6-[(2-methoxyethylamino)methyl]phenoxy]ethanol
PubChem CID63058152
Molecular FormulaC12H17Cl2NO3
Molecular Weight294.18 g/mol
Exact Mass293.06
IUPAC Name2-[2,4-dichloro-6-[(2-methoxyethylamino)methyl]phenoxy]ethanol
SMILESCOCCNCc1cc(Cl)cc(Cl)c1OCCO
InChIInChI=1S/C12H17Cl2NO3/c1-17-4-2-15-8-9-6-10(13)7-11(14)12(9)18-5-3-16/h6-7,15-16H,2-5,8H2,1H3
InChIKeyLAXDMYQQGOJMAW-UHFFFAOYSA-N
XLogP2.10
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,5-dichloro-2-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 17294438
2-[2-[(3,5-dichloro-2-methoxyphenyl)methylamino]ethylamino]ethanol;hydrochloride
CID 11957133
N-[[3,5-dichloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]ethanamine
CID 103177633
N-[(3,5-dichloro-2-pentoxyphenyl)methyl]propan-1-amine
CID 43515784
N-[[3,5-dichloro-2-(2-propoxyethoxy)phenyl]methyl]propan-1-amine
CID 106449939
N-[[3,5-dichloro-2-(3-fluoropropoxy)phenyl]methyl]ethanamine
CID 81107142
3-[4-chloro-2-methoxy-6-[(2-methoxyethylamino)methyl]phenoxy]propane-1,2-diol
CID 104665187
4-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]butan-1-ol
CID 63057974
N-[(3,5-dichloro-2-propoxyphenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 29241701
N-[(2,4-dichlorophenyl)methyl]-2-(2,4,6-trichlorophenoxy)ethanamine
CID 67892827
N-[[3,5-dichloro-2-(3,3,3-trifluoropropoxy)phenyl]methyl]ethanamine
CID 64552689
2-[4-chloro-2-methoxy-6-[(2-methoxyethylamino)methyl]phenoxy]propanoic acid
CID 104665197

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-dichloro-6-[(2-methoxyethylamino)methyl]phenoxy]ethanol?
The IUPAC name of 2-[2,4-dichloro-6-[(2-methoxyethylamino)methyl]phenoxy]ethanol (CID 63058152) is 2-[2,4-dichloro-6-[(2-methoxyethylamino)methyl]phenoxy]ethanol.
What is the SMILES notation for 2-[2,4-dichloro-6-[(2-methoxyethylamino)methyl]phenoxy]ethanol?
The canonical SMILES for 2-[2,4-dichloro-6-[(2-methoxyethylamino)methyl]phenoxy]ethanol is COCCNCc1cc(Cl)cc(Cl)c1OCCO.
What is the InChIKey of 2-[2,4-dichloro-6-[(2-methoxyethylamino)methyl]phenoxy]ethanol?
The InChIKey is LAXDMYQQGOJMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO3/c1-17-4-2-15-8-9-6-10(13)7-11(14)12(9)18-5-3-16/h6-7,15-16H,2-5,8H2,1H3.
What are the key properties of 2-[2,4-dichloro-6-[(2-methoxyethylamino)methyl]phenoxy]ethanol?
2-[2,4-dichloro-6-[(2-methoxyethylamino)methyl]phenoxy]ethanol has a molecular weight of 294.18 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-dichloro-6-[(2-methoxyethylamino)methyl]phenoxy]ethanol is sourced from PubChem (CID 63058152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).