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

C11H13N3O — CID 62355871

IUPAC3-[(1-methylimidazol-2-yl)methylamino]phenol
SMILESCn1ccnc1CNc1cccc(O)c1
InChIInChI=1S/C11H13N3O/c1-14-6-5-12-11(14)8-13-9-3-2-4-10(15)7-9/h2-7,13,15H,8H2,1H3
InChIKeyJAMMBGAWOTZESB-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.74
Rot. Bonds3

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

3-[(1-methylimidazol-2-yl)methylamino]phenol (PubChem CID 62355871) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 3-[(1-methylimidazol-2-yl)methylamino]phenol.

Molecular Properties

Compound Name3-[(1-methylimidazol-2-yl)methylamino]phenol
PubChem CID62355871
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name3-[(1-methylimidazol-2-yl)methylamino]phenol
SMILESCn1ccnc1CNc1cccc(O)c1
InChIInChI=1S/C11H13N3O/c1-14-6-5-12-11(14)8-13-9-3-2-4-10(15)7-9/h2-7,13,15H,8H2,1H3
InChIKeyJAMMBGAWOTZESB-UHFFFAOYSA-N
XLogP1.74
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087909
4-[(1-methylimidazol-2-yl)methylamino]phenol
CID 62351704
N-[(1-methylimidazol-2-yl)methyl]-3-pyrrol-1-ylaniline
CID 55064678
N-[3-[(1-methylimidazol-2-yl)methylamino]phenyl]propanamide
CID 62357401
N-[(1-methylimidazol-2-yl)methyl]-3-(1-methyltetrazol-5-yl)aniline
CID 62357094
N-[(1-methylimidazol-2-yl)methyl]-3-(tetrazol-1-yl)aniline
CID 60694837
2,6-difluoro-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43088131
N-[(1-methylimidazol-2-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 62350456
N-[(1-methylimidazol-2-yl)methyl]thiophen-3-amine
CID 66350553
5-[(1-methylimidazol-2-yl)methylamino]benzene-1,3-dicarboxamide
CID 62355697
4-chloro-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087975
2-[3-[(1-methylimidazol-2-yl)methylamino]phenoxy]benzamide
CID 84586746

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylimidazol-2-yl)methylamino]phenol?
The IUPAC name of 3-[(1-methylimidazol-2-yl)methylamino]phenol (CID 62355871) is 3-[(1-methylimidazol-2-yl)methylamino]phenol.
What is the SMILES notation for 3-[(1-methylimidazol-2-yl)methylamino]phenol?
The canonical SMILES for 3-[(1-methylimidazol-2-yl)methylamino]phenol is Cn1ccnc1CNc1cccc(O)c1.
What is the InChIKey of 3-[(1-methylimidazol-2-yl)methylamino]phenol?
The InChIKey is JAMMBGAWOTZESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-14-6-5-12-11(14)8-13-9-3-2-4-10(15)7-9/h2-7,13,15H,8H2,1H3.
What are the key properties of 3-[(1-methylimidazol-2-yl)methylamino]phenol?
3-[(1-methylimidazol-2-yl)methylamino]phenol has a molecular weight of 203.25 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylimidazol-2-yl)methylamino]phenol is sourced from PubChem (CID 62355871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).