3-(2-methylimidazol-1-yl)-3-phenylpropan-1-amine

C13H17N3 — CID 62780394

IUPAC3-(2-methylimidazol-1-yl)-3-phenylpropan-1-amine
SMILESCc1nccn1C(CCN)c1ccccc1
InChIInChI=1S/C13H17N3/c1-11-15-9-10-16(11)13(7-8-14)12-5-3-2-4-6-12/h2-6,9-10,13H,7-8,14H2,1H3
InChIKeyIPDQHDAFTMVJMA-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.13
Rot. Bonds4

About 3-(2-methylimidazol-1-yl)-3-phenylpropan-1-amine

3-(2-methylimidazol-1-yl)-3-phenylpropan-1-amine (PubChem CID 62780394) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-(2-methylimidazol-1-yl)-3-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(2-methylimidazol-1-yl)-3-phenylpropan-1-amine
PubChem CID62780394
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name3-(2-methylimidazol-1-yl)-3-phenylpropan-1-amine
SMILESCc1nccn1C(CCN)c1ccccc1
InChIInChI=1S/C13H17N3/c1-11-15-9-10-16(11)13(7-8-14)12-5-3-2-4-6-12/h2-6,9-10,13H,7-8,14H2,1H3
InChIKeyIPDQHDAFTMVJMA-UHFFFAOYSA-N
XLogP2.13
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylimidazol-1-yl)-3-phenylpropan-1-amine?
The IUPAC name of 3-(2-methylimidazol-1-yl)-3-phenylpropan-1-amine (CID 62780394) is 3-(2-methylimidazol-1-yl)-3-phenylpropan-1-amine.
What is the SMILES notation for 3-(2-methylimidazol-1-yl)-3-phenylpropan-1-amine?
The canonical SMILES for 3-(2-methylimidazol-1-yl)-3-phenylpropan-1-amine is Cc1nccn1C(CCN)c1ccccc1.
What is the InChIKey of 3-(2-methylimidazol-1-yl)-3-phenylpropan-1-amine?
The InChIKey is IPDQHDAFTMVJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-11-15-9-10-16(11)13(7-8-14)12-5-3-2-4-6-12/h2-6,9-10,13H,7-8,14H2,1H3.
What are the key properties of 3-(2-methylimidazol-1-yl)-3-phenylpropan-1-amine?
3-(2-methylimidazol-1-yl)-3-phenylpropan-1-amine has a molecular weight of 215.30 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylimidazol-1-yl)-3-phenylpropan-1-amine is sourced from PubChem (CID 62780394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).