N-[[3-[(2,3-dichlorophenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-2-amine

C15H19Cl2N3 — CID 107310259

IUPACN-[[3-[(2,3-dichlorophenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-2-amine
SMILESCc1ncc(CNC(C)C)n1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C15H19Cl2N3/c1-10(2)18-7-13-8-19-11(3)20(13)9-12-5-4-6-14(16)15(12)17/h4-6,8,10,18H,7,9H2,1-3H3
InChIKeyQGYUYZZFFNXJCX-UHFFFAOYSA-N
MW312.24 g/mol
LogP4.04
Rot. Bonds5

About N-[[3-[(2,3-dichlorophenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-2-amine

N-[[3-[(2,3-dichlorophenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-2-amine (PubChem CID 107310259) has the molecular formula C15H19Cl2N3 and a molecular weight of 312.24 g/mol. Its IUPAC name is N-[[3-[(2,3-dichlorophenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[(2,3-dichlorophenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-2-amine
PubChem CID107310259
Molecular FormulaC15H19Cl2N3
Molecular Weight312.24 g/mol
Exact Mass311.10
IUPAC NameN-[[3-[(2,3-dichlorophenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-2-amine
SMILESCc1ncc(CNC(C)C)n1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C15H19Cl2N3/c1-10(2)18-7-13-8-19-11(3)20(13)9-12-5-4-6-14(16)15(12)17/h4-6,8,10,18H,7,9H2,1-3H3
InChIKeyQGYUYZZFFNXJCX-UHFFFAOYSA-N
XLogP4.04
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2,3-dichlorophenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[(2,3-dichlorophenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-2-amine (CID 107310259) is N-[[3-[(2,3-dichlorophenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[(2,3-dichlorophenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[(2,3-dichlorophenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-2-amine is Cc1ncc(CNC(C)C)n1Cc1cccc(Cl)c1Cl.
What is the InChIKey of N-[[3-[(2,3-dichlorophenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-2-amine?
The InChIKey is QGYUYZZFFNXJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3/c1-10(2)18-7-13-8-19-11(3)20(13)9-12-5-4-6-14(16)15(12)17/h4-6,8,10,18H,7,9H2,1-3H3.
What are the key properties of N-[[3-[(2,3-dichlorophenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-2-amine?
N-[[3-[(2,3-dichlorophenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-2-amine has a molecular weight of 312.24 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2,3-dichlorophenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 107310259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).