1-(2,4-dichlorophenyl)-N-ethyl-2-methoxyethanamine

C11H15Cl2NO — CID 105008882

IUPAC1-(2,4-dichlorophenyl)-N-ethyl-2-methoxyethanamine
SMILESCCNC(COC)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H15Cl2NO/c1-3-14-11(7-15-2)9-5-4-8(12)6-10(9)13/h4-6,11,14H,3,7H2,1-2H3
InChIKeyULQCCCPXVUCHJN-UHFFFAOYSA-N
MW248.15 g/mol
LogP3.29
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-N-ethyl-2-methoxyethanamine

1-(2,4-dichlorophenyl)-N-ethyl-2-methoxyethanamine (PubChem CID 105008882) has the molecular formula C11H15Cl2NO and a molecular weight of 248.15 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-ethyl-2-methoxyethanamine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-ethyl-2-methoxyethanamine
PubChem CID105008882
Molecular FormulaC11H15Cl2NO
Molecular Weight248.15 g/mol
Exact Mass247.05
IUPAC Name1-(2,4-dichlorophenyl)-N-ethyl-2-methoxyethanamine
SMILESCCNC(COC)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H15Cl2NO/c1-3-14-11(7-15-2)9-5-4-8(12)6-10(9)13/h4-6,11,14H,3,7H2,1-2H3
InChIKeyULQCCCPXVUCHJN-UHFFFAOYSA-N
XLogP3.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dichlorophenyl)-N-ethyl-3-propoxypropan-1-amine
CID 114281159
1-(2,4-dichlorophenyl)-N-ethylpent-3-yn-1-amine
CID 115819724
1-(2,4-difluorophenyl)-N-ethyl-2-methoxyethanamine
CID 62801049
1-(2,4-dichlorophenyl)-N-(2-ethoxyethyl)propan-1-amine
CID 43590907
N-[1-(4-bromo-2-chlorophenyl)-2-methoxyethyl]propan-1-amine
CID 105008686
1-(2,4-dichlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115860970
1-(4-chloro-2-fluorophenyl)-N-ethyl-4-methoxybutan-1-amine
CID 78924376
1-(2-chloro-4-methylphenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 106858183
1-(2-chloro-4-fluorophenyl)-N-ethyl-4-methoxybutan-1-amine
CID 55152994
N-[1-(2,4-dichlorophenyl)propyl]-2-methoxy-2-methylpropan-1-amine
CID 113450027
1-(5-chloro-2-fluorophenyl)-N-ethyl-4-methoxybutan-1-amine
CID 114886474
N-[1-(2,4-dichlorophenyl)ethyl]-1-methoxy-3-methylbutan-2-amine
CID 65047890

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-ethyl-2-methoxyethanamine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-ethyl-2-methoxyethanamine (CID 105008882) is 1-(2,4-dichlorophenyl)-N-ethyl-2-methoxyethanamine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-ethyl-2-methoxyethanamine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-ethyl-2-methoxyethanamine is CCNC(COC)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-ethyl-2-methoxyethanamine?
The InChIKey is ULQCCCPXVUCHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO/c1-3-14-11(7-15-2)9-5-4-8(12)6-10(9)13/h4-6,11,14H,3,7H2,1-2H3.
What are the key properties of 1-(2,4-dichlorophenyl)-N-ethyl-2-methoxyethanamine?
1-(2,4-dichlorophenyl)-N-ethyl-2-methoxyethanamine has a molecular weight of 248.15 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-ethyl-2-methoxyethanamine is sourced from PubChem (CID 105008882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).