2-(2,4-dichlorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine

C13H15Cl2N3 — CID 43088170

IUPAC2-(2,4-dichlorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
SMILESCn1ccnc1CNCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2N3/c1-18-7-6-17-13(18)9-16-5-4-10-2-3-11(14)8-12(10)15/h2-3,6-8,16H,4-5,9H2,1H3
InChIKeyMFEFWOXRMWEJDK-UHFFFAOYSA-N
MW284.19 g/mol
LogP3.06
Rot. Bonds5

About 2-(2,4-dichlorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine

2-(2,4-dichlorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine (PubChem CID 43088170) has the molecular formula C13H15Cl2N3 and a molecular weight of 284.19 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
PubChem CID43088170
Molecular FormulaC13H15Cl2N3
Molecular Weight284.19 g/mol
Exact Mass283.06
IUPAC Name2-(2,4-dichlorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
SMILESCn1ccnc1CNCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2N3/c1-18-7-6-17-13(18)9-16-5-4-10-2-3-11(14)8-12(10)15/h2-3,6-8,16H,4-5,9H2,1H3
InChIKeyMFEFWOXRMWEJDK-UHFFFAOYSA-N
XLogP3.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 17209606
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 61212601
N-[(3-chloro-4-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 81146312
2-(2,4-dichlorophenyl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
CID 66399352
2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 166200639
2-(2,4-dichlorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 30054388
N-[[1-[(2,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 42818937
1-(2,4-dichlorophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine
CID 114529939
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 104878329
2-(2,4-dichlorophenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
CID 80707891
N-[(3-bromo-4-chlorophenyl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 83235355
4-chloro-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087975

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine (CID 43088170) is 2-(2,4-dichlorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine is Cn1ccnc1CNCCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
The InChIKey is MFEFWOXRMWEJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3/c1-18-7-6-17-13(18)9-16-5-4-10-2-3-11(14)8-12(10)15/h2-3,6-8,16H,4-5,9H2,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
2-(2,4-dichlorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine has a molecular weight of 284.19 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 43088170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).