2-methyl-5-[1-(1-methylimidazol-2-yl)ethylamino]phenol

C13H17N3O — CID 107700835

IUPAC2-methyl-5-[1-(1-methylimidazol-2-yl)ethylamino]phenol
SMILESCc1ccc(NC(C)c2nccn2C)cc1O
InChIInChI=1S/C13H17N3O/c1-9-4-5-11(8-12(9)17)15-10(2)13-14-6-7-16(13)3/h4-8,10,15,17H,1-3H3
InChIKeyHINVYJRPZGZBRF-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.61
Rot. Bonds3

About 2-methyl-5-[1-(1-methylimidazol-2-yl)ethylamino]phenol

2-methyl-5-[1-(1-methylimidazol-2-yl)ethylamino]phenol (PubChem CID 107700835) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-methyl-5-[1-(1-methylimidazol-2-yl)ethylamino]phenol.

Molecular Properties

Compound Name2-methyl-5-[1-(1-methylimidazol-2-yl)ethylamino]phenol
PubChem CID107700835
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-methyl-5-[1-(1-methylimidazol-2-yl)ethylamino]phenol
SMILESCc1ccc(NC(C)c2nccn2C)cc1O
InChIInChI=1S/C13H17N3O/c1-9-4-5-11(8-12(9)17)15-10(2)13-14-6-7-16(13)3/h4-8,10,15,17H,1-3H3
InChIKeyHINVYJRPZGZBRF-UHFFFAOYSA-N
XLogP2.61
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-[1-(4-propan-2-ylphenyl)ethylamino]phenol
CID 107699855
3-bromo-2-methyl-N-[1-(1-methylimidazol-2-yl)ethyl]aniline
CID 103936018
2-(3-hydroxy-4-methylanilino)propanoic acid
CID 107700440
(1S)-N-[1-(1-methylimidazol-2-yl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81357198
5-[1-(2,4-difluorophenyl)ethylamino]-2-methylphenol
CID 107700745
5-[1-(3-chloro-4-fluorophenyl)ethylamino]-2-methylphenol
CID 107700001
5-[1-(2-chloro-4-fluorophenyl)ethylamino]-2-methylphenol
CID 107701003
2-methyl-5-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]phenol
CID 107699751
methane;1-(1-methylimidazol-2-yl)ethanol
CID 174578222
3-fluoro-2-iodo-N-[1-(1-methylimidazol-2-yl)ethyl]aniline
CID 114258324
ethyl 3-[1-(1-methylimidazol-2-yl)ethylamino]-3-oxopropanoate
CID 110474175
1-(2,5-dimethylphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 61316310

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[1-(1-methylimidazol-2-yl)ethylamino]phenol?
The IUPAC name of 2-methyl-5-[1-(1-methylimidazol-2-yl)ethylamino]phenol (CID 107700835) is 2-methyl-5-[1-(1-methylimidazol-2-yl)ethylamino]phenol.
What is the SMILES notation for 2-methyl-5-[1-(1-methylimidazol-2-yl)ethylamino]phenol?
The canonical SMILES for 2-methyl-5-[1-(1-methylimidazol-2-yl)ethylamino]phenol is Cc1ccc(NC(C)c2nccn2C)cc1O.
What is the InChIKey of 2-methyl-5-[1-(1-methylimidazol-2-yl)ethylamino]phenol?
The InChIKey is HINVYJRPZGZBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9-4-5-11(8-12(9)17)15-10(2)13-14-6-7-16(13)3/h4-8,10,15,17H,1-3H3.
What are the key properties of 2-methyl-5-[1-(1-methylimidazol-2-yl)ethylamino]phenol?
2-methyl-5-[1-(1-methylimidazol-2-yl)ethylamino]phenol has a molecular weight of 231.30 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[1-(1-methylimidazol-2-yl)ethylamino]phenol is sourced from PubChem (CID 107700835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).