4-[2-amino-2-(3-methylimidazol-4-yl)ethyl]phenol

C12H15N3O — CID 82895858

IUPAC4-[2-amino-2-(3-methylimidazol-4-yl)ethyl]phenol
SMILESCn1cncc1C(N)Cc1ccc(O)cc1
InChIInChI=1S/C12H15N3O/c1-15-8-14-7-12(15)11(13)6-9-2-4-10(16)5-3-9/h2-5,7-8,11,16H,6,13H2,1H3
InChIKeyVLTBJWGJTDSFFK-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.37
Rot. Bonds3

About 4-[2-amino-2-(3-methylimidazol-4-yl)ethyl]phenol

4-[2-amino-2-(3-methylimidazol-4-yl)ethyl]phenol (PubChem CID 82895858) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-[2-amino-2-(3-methylimidazol-4-yl)ethyl]phenol.

Molecular Properties

Compound Name4-[2-amino-2-(3-methylimidazol-4-yl)ethyl]phenol
PubChem CID82895858
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name4-[2-amino-2-(3-methylimidazol-4-yl)ethyl]phenol
SMILESCn1cncc1C(N)Cc1ccc(O)cc1
InChIInChI=1S/C12H15N3O/c1-15-8-14-7-12(15)11(13)6-9-2-4-10(16)5-3-9/h2-5,7-8,11,16H,6,13H2,1H3
InChIKeyVLTBJWGJTDSFFK-UHFFFAOYSA-N
XLogP1.37
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylimidazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 82895393
2-(2,6-dimethylphenyl)-1-(3-methylimidazol-4-yl)ethanamine
CID 82895312
4-[(2R)-2-amino-2-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenol
CID 94552493
4-[2-amino-2-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenol
CID 62694256
1-(3-methylimidazol-4-yl)-2-phenylethanol
CID 66118824
2-(4-iodophenyl)-1-(3-methylimidazol-4-yl)ethanol
CID 66117760
1-(3-methylimidazol-4-yl)-2-(4-propan-2-ylphenyl)ethanol
CID 66117765
1-(3-methylimidazol-4-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107050777
(1S)-1-(3-methylimidazol-4-yl)ethanamine
CID 82898137
1-(3-methylimidazol-4-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103012064
[2-(4-fluorophenyl)-1-(3-methylimidazol-4-yl)ethyl]hydrazine
CID 105264554
(1R)-1-(3-hexylimidazol-4-yl)-2-phenylethanamine
CID 104943240

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-2-(3-methylimidazol-4-yl)ethyl]phenol?
The IUPAC name of 4-[2-amino-2-(3-methylimidazol-4-yl)ethyl]phenol (CID 82895858) is 4-[2-amino-2-(3-methylimidazol-4-yl)ethyl]phenol.
What is the SMILES notation for 4-[2-amino-2-(3-methylimidazol-4-yl)ethyl]phenol?
The canonical SMILES for 4-[2-amino-2-(3-methylimidazol-4-yl)ethyl]phenol is Cn1cncc1C(N)Cc1ccc(O)cc1.
What is the InChIKey of 4-[2-amino-2-(3-methylimidazol-4-yl)ethyl]phenol?
The InChIKey is VLTBJWGJTDSFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-15-8-14-7-12(15)11(13)6-9-2-4-10(16)5-3-9/h2-5,7-8,11,16H,6,13H2,1H3.
What are the key properties of 4-[2-amino-2-(3-methylimidazol-4-yl)ethyl]phenol?
4-[2-amino-2-(3-methylimidazol-4-yl)ethyl]phenol has a molecular weight of 217.27 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-2-(3-methylimidazol-4-yl)ethyl]phenol is sourced from PubChem (CID 82895858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).