[2-ethoxy-5-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]methanol

C14H19N3O2 — CID 62742857

IUPAC[2-ethoxy-5-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]methanol
SMILESCCOc1ccc(NCc2nc[nH]c2C)cc1CO
InChIInChI=1S/C14H19N3O2/c1-3-19-14-5-4-12(6-11(14)8-18)15-7-13-10(2)16-9-17-13/h4-6,9,15,18H,3,7-8H2,1-2H3,(H,16,17)
InChIKeyNXFSSSGOQKHDJJ-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.22
Rot. Bonds6

About [2-ethoxy-5-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]methanol

[2-ethoxy-5-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]methanol (PubChem CID 62742857) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is [2-ethoxy-5-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]methanol.

Molecular Properties

Compound Name[2-ethoxy-5-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]methanol
PubChem CID62742857
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name[2-ethoxy-5-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]methanol
SMILESCCOc1ccc(NCc2nc[nH]c2C)cc1CO
InChIInChI=1S/C14H19N3O2/c1-3-19-14-5-4-12(6-11(14)8-18)15-7-13-10(2)16-9-17-13/h4-6,9,15,18H,3,7-8H2,1-2H3,(H,16,17)
InChIKeyNXFSSSGOQKHDJJ-UHFFFAOYSA-N
XLogP2.22
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.22
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

4-ethoxy-3-fluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline
CID 113399717
[2-ethoxy-5-(1H-imidazol-5-ylmethylamino)phenyl]methanol
CID 62763564
[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-ethoxyphenyl]methanol
CID 60980472
[2-ethoxy-5-[(4-fluorophenyl)methylamino]phenyl]methanol
CID 60980868
[2-ethoxy-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]phenyl]methanol
CID 54880114
[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
3-bromo-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(trifluoromethoxy)aniline
CID 107335896
[5-[(5-chlorofuran-2-yl)methylamino]-2-ethoxyphenyl]methanol
CID 54880065

Frequently Asked Questions

What is the IUPAC name of [2-ethoxy-5-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]methanol?
The IUPAC name of [2-ethoxy-5-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]methanol (CID 62742857) is [2-ethoxy-5-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]methanol.
What is the SMILES notation for [2-ethoxy-5-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]methanol?
The canonical SMILES for [2-ethoxy-5-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]methanol is CCOc1ccc(NCc2nc[nH]c2C)cc1CO.
What is the InChIKey of [2-ethoxy-5-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]methanol?
The InChIKey is NXFSSSGOQKHDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-19-14-5-4-12(6-11(14)8-18)15-7-13-10(2)16-9-17-13/h4-6,9,15,18H,3,7-8H2,1-2H3,(H,16,17).
What are the key properties of [2-ethoxy-5-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]methanol?
[2-ethoxy-5-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]methanol has a molecular weight of 261.32 g/mol, XLogP of 2.22, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethoxy-5-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]methanol is sourced from PubChem (CID 62742857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).