4-[1-(1H-imidazol-2-ylmethylamino)ethyl]phenol

C12H15N3O — CID 64547217

IUPAC4-[1-(1H-imidazol-2-ylmethylamino)ethyl]phenol
SMILESCC(NCc1ncc[nH]1)c1ccc(O)cc1
InChIInChI=1S/C12H15N3O/c1-9(10-2-4-11(16)5-3-10)15-8-12-13-6-7-14-12/h2-7,9,15-16H,8H2,1H3,(H,13,14)
InChIKeyRNFUAGGOJBHDHS-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.97
Rot. Bonds4

About 4-[1-(1H-imidazol-2-ylmethylamino)ethyl]phenol

4-[1-(1H-imidazol-2-ylmethylamino)ethyl]phenol (PubChem CID 64547217) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-[1-(1H-imidazol-2-ylmethylamino)ethyl]phenol.

Molecular Properties

Compound Name4-[1-(1H-imidazol-2-ylmethylamino)ethyl]phenol
PubChem CID64547217
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name4-[1-(1H-imidazol-2-ylmethylamino)ethyl]phenol
SMILESCC(NCc1ncc[nH]1)c1ccc(O)cc1
InChIInChI=1S/C12H15N3O/c1-9(10-2-4-11(16)5-3-10)15-8-12-13-6-7-14-12/h2-7,9,15-16H,8H2,1H3,(H,13,14)
InChIKeyRNFUAGGOJBHDHS-UHFFFAOYSA-N
XLogP1.97
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-imidazol-2-ylmethyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 54976562
(1R)-1-(3-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)ethanamine
CID 81368803
1-(4-fluorophenyl)-2-(1H-imidazol-2-ylmethylamino)propan-1-ol
CID 111422085
N-(1H-imidazol-2-ylmethyl)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethanamine
CID 119111306
N-(1H-imidazol-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 54976078
N-(1H-imidazol-2-ylmethyl)-1-(4-methyl-3-nitrophenyl)ethanamine
CID 64546047
(1S)-N-[2-(1H-imidazol-2-yl)ethyl]-1-phenylethanamine
CID 167885469
(1S,3S)-1-(4-fluorophenyl)-3-(1H-imidazol-2-ylmethylamino)butan-1-ol
CID 97249720
4-[1-(pyridazin-3-ylmethylamino)ethyl]phenol
CID 106895349
4-[1-[(4-fluorophenyl)methylamino]ethyl]phenol
CID 43194830
2-(1H-imidazol-2-ylmethylamino)-2-phenylethanol
CID 63182355
4-[1-(2-aminoethylamino)ethyl]phenol
CID 60887563

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1H-imidazol-2-ylmethylamino)ethyl]phenol?
The IUPAC name of 4-[1-(1H-imidazol-2-ylmethylamino)ethyl]phenol (CID 64547217) is 4-[1-(1H-imidazol-2-ylmethylamino)ethyl]phenol.
What is the SMILES notation for 4-[1-(1H-imidazol-2-ylmethylamino)ethyl]phenol?
The canonical SMILES for 4-[1-(1H-imidazol-2-ylmethylamino)ethyl]phenol is CC(NCc1ncc[nH]1)c1ccc(O)cc1.
What is the InChIKey of 4-[1-(1H-imidazol-2-ylmethylamino)ethyl]phenol?
The InChIKey is RNFUAGGOJBHDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9(10-2-4-11(16)5-3-10)15-8-12-13-6-7-14-12/h2-7,9,15-16H,8H2,1H3,(H,13,14).
What are the key properties of 4-[1-(1H-imidazol-2-ylmethylamino)ethyl]phenol?
4-[1-(1H-imidazol-2-ylmethylamino)ethyl]phenol has a molecular weight of 217.27 g/mol, XLogP of 1.97, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1H-imidazol-2-ylmethylamino)ethyl]phenol is sourced from PubChem (CID 64547217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).