1-(2,5-dichloro-4-methoxyphenyl)-N,N-dimethylethanamine

C11H15Cl2NO — CID 116914633

IUPAC1-(2,5-dichloro-4-methoxyphenyl)-N,N-dimethylethanamine
SMILESCOc1cc(Cl)c(C(C)N(C)C)cc1Cl
InChIInChI=1S/C11H15Cl2NO/c1-7(14(2)3)8-5-10(13)11(15-4)6-9(8)12/h5-7H,1-4H3
InChIKeyPLMCBKMIRHFXIZ-UHFFFAOYSA-N
MW248.15 g/mol
LogP3.62
Rot. Bonds3

About 1-(2,5-dichloro-4-methoxyphenyl)-N,N-dimethylethanamine

1-(2,5-dichloro-4-methoxyphenyl)-N,N-dimethylethanamine (PubChem CID 116914633) has the molecular formula C11H15Cl2NO and a molecular weight of 248.15 g/mol. Its IUPAC name is 1-(2,5-dichloro-4-methoxyphenyl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name1-(2,5-dichloro-4-methoxyphenyl)-N,N-dimethylethanamine
PubChem CID116914633
Molecular FormulaC11H15Cl2NO
Molecular Weight248.15 g/mol
Exact Mass247.05
IUPAC Name1-(2,5-dichloro-4-methoxyphenyl)-N,N-dimethylethanamine
SMILESCOc1cc(Cl)c(C(C)N(C)C)cc1Cl
InChIInChI=1S/C11H15Cl2NO/c1-7(14(2)3)8-5-10(13)11(15-4)6-9(8)12/h5-7H,1-4H3
InChIKeyPLMCBKMIRHFXIZ-UHFFFAOYSA-N
XLogP3.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,5-dichloro-4-methoxyphenyl)butanoic acid
CID 82303091
2-(2,4-dichloro-5-methoxyphenyl)propan-1-amine
CID 83895896
2-amino-1-(2,5-dichloro-4-methoxyphenyl)ethanol
CID 82291508
2-(2,5-dichloro-4-methoxyphenyl)-2-methoxyethanamine
CID 82297325
2-(5-chloro-4-methoxy-2-methylphenyl)-2-(dimethylamino)ethanol
CID 116857246
2-(2,5-dichloro-4-methoxyphenyl)-3-methoxypropan-1-amine
CID 116835620
4-chloro-2-(1-hydroxyethyl)-5-methoxyphenol
CID 117291182
1-(5-fluoro-2-methoxyphenyl)-N,N-dimethylethanamine
CID 116914588
2-cyclopropyl-1-(2,5-dichloro-4-methoxyphenyl)-N-methylpropan-1-amine
CID 83155006
2-bromo-3-[chloro-(2,5-dichloro-4-methoxyphenyl)methyl]furan
CID 106855701
1-(1-bromo-2-propylpentyl)-2,5-dichloro-4-methoxybenzene
CID 82987273
2-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine
CID 82284471

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichloro-4-methoxyphenyl)-N,N-dimethylethanamine?
The IUPAC name of 1-(2,5-dichloro-4-methoxyphenyl)-N,N-dimethylethanamine (CID 116914633) is 1-(2,5-dichloro-4-methoxyphenyl)-N,N-dimethylethanamine.
What is the SMILES notation for 1-(2,5-dichloro-4-methoxyphenyl)-N,N-dimethylethanamine?
The canonical SMILES for 1-(2,5-dichloro-4-methoxyphenyl)-N,N-dimethylethanamine is COc1cc(Cl)c(C(C)N(C)C)cc1Cl.
What is the InChIKey of 1-(2,5-dichloro-4-methoxyphenyl)-N,N-dimethylethanamine?
The InChIKey is PLMCBKMIRHFXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO/c1-7(14(2)3)8-5-10(13)11(15-4)6-9(8)12/h5-7H,1-4H3.
What are the key properties of 1-(2,5-dichloro-4-methoxyphenyl)-N,N-dimethylethanamine?
1-(2,5-dichloro-4-methoxyphenyl)-N,N-dimethylethanamine has a molecular weight of 248.15 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichloro-4-methoxyphenyl)-N,N-dimethylethanamine is sourced from PubChem (CID 116914633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).