[2-ethoxy-5-(1H-imidazol-5-ylmethylamino)phenyl]methanol

C13H17N3O2 — CID 62763564

IUPAC[2-ethoxy-5-(1H-imidazol-5-ylmethylamino)phenyl]methanol
SMILESCCOc1ccc(NCc2cnc[nH]2)cc1CO
InChIInChI=1S/C13H17N3O2/c1-2-18-13-4-3-11(5-10(13)8-17)15-7-12-6-14-9-16-12/h3-6,9,15,17H,2,7-8H2,1H3,(H,14,16)
InChIKeyKYPAZDNNQQRHMP-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.91
Rot. Bonds6

About [2-ethoxy-5-(1H-imidazol-5-ylmethylamino)phenyl]methanol

[2-ethoxy-5-(1H-imidazol-5-ylmethylamino)phenyl]methanol (PubChem CID 62763564) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is [2-ethoxy-5-(1H-imidazol-5-ylmethylamino)phenyl]methanol.

Molecular Properties

Compound Name[2-ethoxy-5-(1H-imidazol-5-ylmethylamino)phenyl]methanol
PubChem CID62763564
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name[2-ethoxy-5-(1H-imidazol-5-ylmethylamino)phenyl]methanol
SMILESCCOc1ccc(NCc2cnc[nH]2)cc1CO
InChIInChI=1S/C13H17N3O2/c1-2-18-13-4-3-11(5-10(13)8-17)15-7-12-6-14-9-16-12/h3-6,9,15,17H,2,7-8H2,1H3,(H,14,16)
InChIKeyKYPAZDNNQQRHMP-UHFFFAOYSA-N
XLogP1.91
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

[2-ethoxy-5-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]methanol
CID 62742857
4-ethoxy-N-(1H-imidazol-5-ylmethyl)aniline
CID 62761547
[2-ethoxy-5-[(4-fluorophenyl)methylamino]phenyl]methanol
CID 60980868
1-(2-ethoxyphenyl)-N-(1H-imidazol-5-ylmethyl)methanamine
CID 63000716
[5-[(3,4-dichlorophenyl)methylamino]-2-ethoxyphenyl]methanol
CID 60981003
[5-[(3,5-dichlorophenyl)methylamino]-2-ethoxyphenyl]methanol
CID 60980596
[5-(2,2-dimethylpropylamino)-2-ethoxyphenyl]methanol
CID 61324347
[5-[(2-aminophenyl)methylamino]-2-ethoxyphenyl]methanol
CID 66419817
[2-ethoxy-5-[(1-ethylpyrrol-2-yl)methylamino]phenyl]methanol
CID 66412545
[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-ethoxyphenyl]methanol
CID 60980472
4-fluoro-N-(1H-imidazol-5-ylmethyl)-3-methoxyaniline
CID 59728218
[5-[(5-chlorofuran-2-yl)methylamino]-2-ethoxyphenyl]methanol
CID 54880065

Frequently Asked Questions

What is the IUPAC name of [2-ethoxy-5-(1H-imidazol-5-ylmethylamino)phenyl]methanol?
The IUPAC name of [2-ethoxy-5-(1H-imidazol-5-ylmethylamino)phenyl]methanol (CID 62763564) is [2-ethoxy-5-(1H-imidazol-5-ylmethylamino)phenyl]methanol.
What is the SMILES notation for [2-ethoxy-5-(1H-imidazol-5-ylmethylamino)phenyl]methanol?
The canonical SMILES for [2-ethoxy-5-(1H-imidazol-5-ylmethylamino)phenyl]methanol is CCOc1ccc(NCc2cnc[nH]2)cc1CO.
What is the InChIKey of [2-ethoxy-5-(1H-imidazol-5-ylmethylamino)phenyl]methanol?
The InChIKey is KYPAZDNNQQRHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-2-18-13-4-3-11(5-10(13)8-17)15-7-12-6-14-9-16-12/h3-6,9,15,17H,2,7-8H2,1H3,(H,14,16).
What are the key properties of [2-ethoxy-5-(1H-imidazol-5-ylmethylamino)phenyl]methanol?
[2-ethoxy-5-(1H-imidazol-5-ylmethylamino)phenyl]methanol has a molecular weight of 247.30 g/mol, XLogP of 1.91, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethoxy-5-(1H-imidazol-5-ylmethylamino)phenyl]methanol is sourced from PubChem (CID 62763564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).