2-[3-(3-methylphenyl)imidazol-4-yl]propan-1-amine

C13H17N3 — CID 83886796

IUPAC2-[3-(3-methylphenyl)imidazol-4-yl]propan-1-amine
SMILESCc1cccc(-n2cncc2C(C)CN)c1
InChIInChI=1S/C13H17N3/c1-10-4-3-5-12(6-10)16-9-15-8-13(16)11(2)7-14/h3-6,8-9,11H,7,14H2,1-2H3
InChIKeyDCJBLXAHTFLRTJ-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.24
Rot. Bonds3

About 2-[3-(3-methylphenyl)imidazol-4-yl]propan-1-amine

2-[3-(3-methylphenyl)imidazol-4-yl]propan-1-amine (PubChem CID 83886796) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-[3-(3-methylphenyl)imidazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name2-[3-(3-methylphenyl)imidazol-4-yl]propan-1-amine
PubChem CID83886796
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2-[3-(3-methylphenyl)imidazol-4-yl]propan-1-amine
SMILESCc1cccc(-n2cncc2C(C)CN)c1
InChIInChI=1S/C13H17N3/c1-10-4-3-5-12(6-10)16-9-15-8-13(16)11(2)7-14/h3-6,8-9,11H,7,14H2,1-2H3
InChIKeyDCJBLXAHTFLRTJ-UHFFFAOYSA-N
XLogP2.24
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methylphenyl)imidazol-4-yl]propan-1-amine?
The IUPAC name of 2-[3-(3-methylphenyl)imidazol-4-yl]propan-1-amine (CID 83886796) is 2-[3-(3-methylphenyl)imidazol-4-yl]propan-1-amine.
What is the SMILES notation for 2-[3-(3-methylphenyl)imidazol-4-yl]propan-1-amine?
The canonical SMILES for 2-[3-(3-methylphenyl)imidazol-4-yl]propan-1-amine is Cc1cccc(-n2cncc2C(C)CN)c1.
What is the InChIKey of 2-[3-(3-methylphenyl)imidazol-4-yl]propan-1-amine?
The InChIKey is DCJBLXAHTFLRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-10-4-3-5-12(6-10)16-9-15-8-13(16)11(2)7-14/h3-6,8-9,11H,7,14H2,1-2H3.
What are the key properties of 2-[3-(3-methylphenyl)imidazol-4-yl]propan-1-amine?
2-[3-(3-methylphenyl)imidazol-4-yl]propan-1-amine has a molecular weight of 215.30 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methylphenyl)imidazol-4-yl]propan-1-amine is sourced from PubChem (CID 83886796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).