1-methoxy-3-(2-phenylimidazol-1-yl)propan-2-amine

C13H17N3O — CID 107506135

IUPAC1-methoxy-3-(2-phenylimidazol-1-yl)propan-2-amine
SMILESCOCC(N)Cn1ccnc1-c1ccccc1
InChIInChI=1S/C13H17N3O/c1-17-10-12(14)9-16-8-7-15-13(16)11-5-3-2-4-6-11/h2-8,12H,9-10,14H2,1H3
InChIKeyDWXYDILQRYMGJE-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.52
Rot. Bonds5

About 1-methoxy-3-(2-phenylimidazol-1-yl)propan-2-amine

1-methoxy-3-(2-phenylimidazol-1-yl)propan-2-amine (PubChem CID 107506135) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-methoxy-3-(2-phenylimidazol-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-methoxy-3-(2-phenylimidazol-1-yl)propan-2-amine
PubChem CID107506135
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-methoxy-3-(2-phenylimidazol-1-yl)propan-2-amine
SMILESCOCC(N)Cn1ccnc1-c1ccccc1
InChIInChI=1S/C13H17N3O/c1-17-10-12(14)9-16-8-7-15-13(16)11-5-3-2-4-6-11/h2-8,12H,9-10,14H2,1H3
InChIKeyDWXYDILQRYMGJE-UHFFFAOYSA-N
XLogP1.52
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(2-phenylimidazol-1-yl)propan-2-amine?
The IUPAC name of 1-methoxy-3-(2-phenylimidazol-1-yl)propan-2-amine (CID 107506135) is 1-methoxy-3-(2-phenylimidazol-1-yl)propan-2-amine.
What is the SMILES notation for 1-methoxy-3-(2-phenylimidazol-1-yl)propan-2-amine?
The canonical SMILES for 1-methoxy-3-(2-phenylimidazol-1-yl)propan-2-amine is COCC(N)Cn1ccnc1-c1ccccc1.
What is the InChIKey of 1-methoxy-3-(2-phenylimidazol-1-yl)propan-2-amine?
The InChIKey is DWXYDILQRYMGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-17-10-12(14)9-16-8-7-15-13(16)11-5-3-2-4-6-11/h2-8,12H,9-10,14H2,1H3.
What are the key properties of 1-methoxy-3-(2-phenylimidazol-1-yl)propan-2-amine?
1-methoxy-3-(2-phenylimidazol-1-yl)propan-2-amine has a molecular weight of 231.30 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(2-phenylimidazol-1-yl)propan-2-amine is sourced from PubChem (CID 107506135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).