3-[1-[(1-methylimidazol-2-yl)methylamino]ethyl]phenol

C13H17N3O — CID 62350121

IUPAC3-[1-[(1-methylimidazol-2-yl)methylamino]ethyl]phenol
SMILESCC(NCc1nccn1C)c1cccc(O)c1
InChIInChI=1S/C13H17N3O/c1-10(11-4-3-5-12(17)8-11)15-9-13-14-6-7-16(13)2/h3-8,10,15,17H,9H2,1-2H3
InChIKeyIJTZJUYZQSNGMO-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.98
Rot. Bonds4

About 3-[1-[(1-methylimidazol-2-yl)methylamino]ethyl]phenol

3-[1-[(1-methylimidazol-2-yl)methylamino]ethyl]phenol (PubChem CID 62350121) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-[1-[(1-methylimidazol-2-yl)methylamino]ethyl]phenol.

Molecular Properties

Compound Name3-[1-[(1-methylimidazol-2-yl)methylamino]ethyl]phenol
PubChem CID62350121
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-[1-[(1-methylimidazol-2-yl)methylamino]ethyl]phenol
SMILESCC(NCc1nccn1C)c1cccc(O)c1
InChIInChI=1S/C13H17N3O/c1-10(11-4-3-5-12(17)8-11)15-9-13-14-6-7-16(13)2/h3-8,10,15,17H,9H2,1-2H3
InChIKeyIJTZJUYZQSNGMO-UHFFFAOYSA-N
XLogP1.98
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1-methylimidazol-2-yl)methylamino]ethyl]phenol?
The IUPAC name of 3-[1-[(1-methylimidazol-2-yl)methylamino]ethyl]phenol (CID 62350121) is 3-[1-[(1-methylimidazol-2-yl)methylamino]ethyl]phenol.
What is the SMILES notation for 3-[1-[(1-methylimidazol-2-yl)methylamino]ethyl]phenol?
The canonical SMILES for 3-[1-[(1-methylimidazol-2-yl)methylamino]ethyl]phenol is CC(NCc1nccn1C)c1cccc(O)c1.
What is the InChIKey of 3-[1-[(1-methylimidazol-2-yl)methylamino]ethyl]phenol?
The InChIKey is IJTZJUYZQSNGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10(11-4-3-5-12(17)8-11)15-9-13-14-6-7-16(13)2/h3-8,10,15,17H,9H2,1-2H3.
What are the key properties of 3-[1-[(1-methylimidazol-2-yl)methylamino]ethyl]phenol?
3-[1-[(1-methylimidazol-2-yl)methylamino]ethyl]phenol has a molecular weight of 231.30 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1-methylimidazol-2-yl)methylamino]ethyl]phenol is sourced from PubChem (CID 62350121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).