2-[4-[(3-methylimidazol-4-yl)methylamino]phenyl]ethanol

C13H17N3O — CID 66118765

IUPAC2-[4-[(3-methylimidazol-4-yl)methylamino]phenyl]ethanol
SMILESCn1cncc1CNc1ccc(CCO)cc1
InChIInChI=1S/C13H17N3O/c1-16-10-14-8-13(16)9-15-12-4-2-11(3-5-12)6-7-17/h2-5,8,10,15,17H,6-7,9H2,1H3
InChIKeyFQULNLOSYKIGIQ-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.57
Rot. Bonds5

About 2-[4-[(3-methylimidazol-4-yl)methylamino]phenyl]ethanol

2-[4-[(3-methylimidazol-4-yl)methylamino]phenyl]ethanol (PubChem CID 66118765) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[4-[(3-methylimidazol-4-yl)methylamino]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[(3-methylimidazol-4-yl)methylamino]phenyl]ethanol
PubChem CID66118765
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-[4-[(3-methylimidazol-4-yl)methylamino]phenyl]ethanol
SMILESCn1cncc1CNc1ccc(CCO)cc1
InChIInChI=1S/C13H17N3O/c1-16-10-14-8-13(16)9-15-12-4-2-11(3-5-12)6-7-17/h2-5,8,10,15,17H,6-7,9H2,1H3
InChIKeyFQULNLOSYKIGIQ-UHFFFAOYSA-N
XLogP1.57
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methylimidazol-4-yl)methylamino]phenyl]ethanol?
The IUPAC name of 2-[4-[(3-methylimidazol-4-yl)methylamino]phenyl]ethanol (CID 66118765) is 2-[4-[(3-methylimidazol-4-yl)methylamino]phenyl]ethanol.
What is the SMILES notation for 2-[4-[(3-methylimidazol-4-yl)methylamino]phenyl]ethanol?
The canonical SMILES for 2-[4-[(3-methylimidazol-4-yl)methylamino]phenyl]ethanol is Cn1cncc1CNc1ccc(CCO)cc1.
What is the InChIKey of 2-[4-[(3-methylimidazol-4-yl)methylamino]phenyl]ethanol?
The InChIKey is FQULNLOSYKIGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-16-10-14-8-13(16)9-15-12-4-2-11(3-5-12)6-7-17/h2-5,8,10,15,17H,6-7,9H2,1H3.
What are the key properties of 2-[4-[(3-methylimidazol-4-yl)methylamino]phenyl]ethanol?
2-[4-[(3-methylimidazol-4-yl)methylamino]phenyl]ethanol has a molecular weight of 231.30 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methylimidazol-4-yl)methylamino]phenyl]ethanol is sourced from PubChem (CID 66118765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).