1-(2,4-dichlorophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine

C14H17Cl2N3 — CID 114529939

IUPAC1-(2,4-dichlorophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine
SMILESCn1ccnc1CCC(N)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2N3/c1-19-7-6-18-14(19)5-4-12(17)8-10-2-3-11(15)9-13(10)16/h2-3,6-7,9,12H,4-5,8,17H2,1H3
InChIKeyAUTAJGOBNDKDQB-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.23
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine

1-(2,4-dichlorophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine (PubChem CID 114529939) has the molecular formula C14H17Cl2N3 and a molecular weight of 298.22 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine
PubChem CID114529939
Molecular FormulaC14H17Cl2N3
Molecular Weight298.22 g/mol
Exact Mass297.08
IUPAC Name1-(2,4-dichlorophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine
SMILESCn1ccnc1CCC(N)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2N3/c1-19-7-6-18-14(19)5-4-12(17)8-10-2-3-11(15)9-13(10)16/h2-3,6-7,9,12H,4-5,8,17H2,1H3
InChIKeyAUTAJGOBNDKDQB-UHFFFAOYSA-N
XLogP3.23
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,4-dichlorophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dichlorophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine
CID 114530092
1-(2,4-dichlorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-amine
CID 79751664
1-(4-chlorophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114529915
4-(1-methylimidazol-2-yl)-1-pyridin-4-ylbutan-2-amine
CID 114530112
2-(2,4-dichlorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 43088170
1-(2,4-dichlorophenyl)-2-(1-methylimidazol-2-yl)ethanol
CID 56692684
[1-(2-bromo-4-chlorophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 114025677
1-(5-chloro-2-methylphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105049923
1-(3-chloro-4-iodophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 103216419
(1R)-1-[5-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanamine
CID 104934191
1-(4-chloro-2-methoxyphenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 115837996
1-(2,5-dichlorophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine
CID 61214271

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine?
The IUPAC name of 1-(2,4-dichlorophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine (CID 114529939) is 1-(2,4-dichlorophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine is Cn1ccnc1CCC(N)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine?
The InChIKey is AUTAJGOBNDKDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3/c1-19-7-6-18-14(19)5-4-12(17)8-10-2-3-11(15)9-13(10)16/h2-3,6-7,9,12H,4-5,8,17H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine?
1-(2,4-dichlorophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine has a molecular weight of 298.22 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine is sourced from PubChem (CID 114529939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).