[1-(3,4-dichlorophenyl)cyclobutyl]-(1-methylimidazol-2-yl)methanamine

C15H17Cl2N3 — CID 13300451

IUPAC[1-(3,4-dichlorophenyl)cyclobutyl]-(1-methylimidazol-2-yl)methanamine
SMILESCn1ccnc1C(N)C1(c2ccc(Cl)c(Cl)c2)CCC1
InChIInChI=1S/C15H17Cl2N3/c1-20-8-7-19-14(20)13(18)15(5-2-6-15)10-3-4-11(16)12(17)9-10/h3-4,7-9,13H,2,5-6,18H2,1H3
InChIKeyZIYAKJCQAHCGGM-UHFFFAOYSA-N
MW310.23 g/mol
LogP3.85
Rot. Bonds3

About [1-(3,4-dichlorophenyl)cyclobutyl]-(1-methylimidazol-2-yl)methanamine

[1-(3,4-dichlorophenyl)cyclobutyl]-(1-methylimidazol-2-yl)methanamine (PubChem CID 13300451) has the molecular formula C15H17Cl2N3 and a molecular weight of 310.23 g/mol. Its IUPAC name is [1-(3,4-dichlorophenyl)cyclobutyl]-(1-methylimidazol-2-yl)methanamine.

Molecular Properties

Compound Name[1-(3,4-dichlorophenyl)cyclobutyl]-(1-methylimidazol-2-yl)methanamine
PubChem CID13300451
Molecular FormulaC15H17Cl2N3
Molecular Weight310.23 g/mol
Exact Mass309.08
IUPAC Name[1-(3,4-dichlorophenyl)cyclobutyl]-(1-methylimidazol-2-yl)methanamine
SMILESCn1ccnc1C(N)C1(c2ccc(Cl)c(Cl)c2)CCC1
InChIInChI=1S/C15H17Cl2N3/c1-20-8-7-19-14(20)13(18)15(5-2-6-15)10-3-4-11(16)12(17)9-10/h3-4,7-9,13H,2,5-6,18H2,1H3
InChIKeyZIYAKJCQAHCGGM-UHFFFAOYSA-N
XLogP3.85
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dichlorophenyl)cyclobutyl]-(1-methylimidazol-2-yl)methanamine?
The IUPAC name of [1-(3,4-dichlorophenyl)cyclobutyl]-(1-methylimidazol-2-yl)methanamine (CID 13300451) is [1-(3,4-dichlorophenyl)cyclobutyl]-(1-methylimidazol-2-yl)methanamine.
What is the SMILES notation for [1-(3,4-dichlorophenyl)cyclobutyl]-(1-methylimidazol-2-yl)methanamine?
The canonical SMILES for [1-(3,4-dichlorophenyl)cyclobutyl]-(1-methylimidazol-2-yl)methanamine is Cn1ccnc1C(N)C1(c2ccc(Cl)c(Cl)c2)CCC1.
What is the InChIKey of [1-(3,4-dichlorophenyl)cyclobutyl]-(1-methylimidazol-2-yl)methanamine?
The InChIKey is ZIYAKJCQAHCGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3/c1-20-8-7-19-14(20)13(18)15(5-2-6-15)10-3-4-11(16)12(17)9-10/h3-4,7-9,13H,2,5-6,18H2,1H3.
What are the key properties of [1-(3,4-dichlorophenyl)cyclobutyl]-(1-methylimidazol-2-yl)methanamine?
[1-(3,4-dichlorophenyl)cyclobutyl]-(1-methylimidazol-2-yl)methanamine has a molecular weight of 310.23 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dichlorophenyl)cyclobutyl]-(1-methylimidazol-2-yl)methanamine is sourced from PubChem (CID 13300451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).