N-[(3,4-dichlorophenyl)methyl]-2-methoxyethanamine

C10H13Cl2NO — CID 594256

IUPACN-[(3,4-dichlorophenyl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H13Cl2NO/c1-14-5-4-13-7-8-2-3-9(11)10(12)6-8/h2-3,6,13H,4-5,7H2,1H3
InChIKeyJJMCCHQJHLDLGI-UHFFFAOYSA-N
MW234.13 g/mol
LogP2.73
Rot. Bonds5

About N-[(3,4-dichlorophenyl)methyl]-2-methoxyethanamine

N-[(3,4-dichlorophenyl)methyl]-2-methoxyethanamine (PubChem CID 594256) has the molecular formula C10H13Cl2NO and a molecular weight of 234.13 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-2-methoxyethanamine
PubChem CID594256
Molecular FormulaC10H13Cl2NO
Molecular Weight234.13 g/mol
Exact Mass233.04
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H13Cl2NO/c1-14-5-4-13-7-8-2-3-9(11)10(12)6-8/h2-3,6,13H,4-5,7H2,1H3
InChIKeyJJMCCHQJHLDLGI-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.13
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-methoxyethanamine (CID 594256) is N-[(3,4-dichlorophenyl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-2-methoxyethanamine is COCCNCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-2-methoxyethanamine?
The InChIKey is JJMCCHQJHLDLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO/c1-14-5-4-13-7-8-2-3-9(11)10(12)6-8/h2-3,6,13H,4-5,7H2,1H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-2-methoxyethanamine?
N-[(3,4-dichlorophenyl)methyl]-2-methoxyethanamine has a molecular weight of 234.13 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 594256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).