2-(1-methylimidazol-2-yl)-1-phenylethanamine;dihydrochloride

C12H17Cl2N3 — CID 19969641

IUPAC2-(1-methylimidazol-2-yl)-1-phenylethanamine;dihydrochloride
SMILESCl.Cl.Cn1ccnc1CC(N)c1ccccc1
InChIInChI=1S/C12H15N3.2ClH/c1-15-8-7-14-12(15)9-11(13)10-5-3-2-4-6-10;;/h2-8,11H,9,13H2,1H3;2*1H
InChIKeyVEUMIZHXOILEEJ-UHFFFAOYSA-N
MW274.20 g/mol
LogP2.51
Rot. Bonds3

About 2-(1-methylimidazol-2-yl)-1-phenylethanamine;dihydrochloride

2-(1-methylimidazol-2-yl)-1-phenylethanamine;dihydrochloride (PubChem CID 19969641) has the molecular formula C12H17Cl2N3 and a molecular weight of 274.20 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-1-phenylethanamine;dihydrochloride.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)-1-phenylethanamine;dihydrochloride
PubChem CID19969641
Molecular FormulaC12H17Cl2N3
Molecular Weight274.20 g/mol
Exact Mass273.08
IUPAC Name2-(1-methylimidazol-2-yl)-1-phenylethanamine;dihydrochloride
SMILESCl.Cl.Cn1ccnc1CC(N)c1ccccc1
InChIInChI=1S/C12H15N3.2ClH/c1-15-8-7-14-12(15)9-11(13)10-5-3-2-4-6-10;;/h2-8,11H,9,13H2,1H3;2*1H
InChIKeyVEUMIZHXOILEEJ-UHFFFAOYSA-N
XLogP2.51
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)-1-phenylethanamine;dihydrochloride?
The IUPAC name of 2-(1-methylimidazol-2-yl)-1-phenylethanamine;dihydrochloride (CID 19969641) is 2-(1-methylimidazol-2-yl)-1-phenylethanamine;dihydrochloride.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)-1-phenylethanamine;dihydrochloride?
The canonical SMILES for 2-(1-methylimidazol-2-yl)-1-phenylethanamine;dihydrochloride is Cl.Cl.Cn1ccnc1CC(N)c1ccccc1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)-1-phenylethanamine;dihydrochloride?
The InChIKey is VEUMIZHXOILEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3.2ClH/c1-15-8-7-14-12(15)9-11(13)10-5-3-2-4-6-10;;/h2-8,11H,9,13H2,1H3;2*1H.
What are the key properties of 2-(1-methylimidazol-2-yl)-1-phenylethanamine;dihydrochloride?
2-(1-methylimidazol-2-yl)-1-phenylethanamine;dihydrochloride has a molecular weight of 274.20 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)-1-phenylethanamine;dihydrochloride is sourced from PubChem (CID 19969641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).