2-[2-methoxy-4-[1-[(3-methylimidazol-4-yl)methylamino]ethyl]phenoxy]ethanol

C16H23N3O3 — CID 119110227

IUPAC2-[2-methoxy-4-[1-[(3-methylimidazol-4-yl)methylamino]ethyl]phenoxy]ethanol
SMILESCOc1cc(C(C)NCc2cncn2C)ccc1OCCO
InChIInChI=1S/C16H23N3O3/c1-12(18-10-14-9-17-11-19(14)2)13-4-5-15(22-7-6-20)16(8-13)21-3/h4-5,8-9,11-12,18,20H,6-7,10H2,1-3H3
InChIKeyCXHKHKHUSWJAEB-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.65
Rot. Bonds8

About 2-[2-methoxy-4-[1-[(3-methylimidazol-4-yl)methylamino]ethyl]phenoxy]ethanol

2-[2-methoxy-4-[1-[(3-methylimidazol-4-yl)methylamino]ethyl]phenoxy]ethanol (PubChem CID 119110227) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-[2-methoxy-4-[1-[(3-methylimidazol-4-yl)methylamino]ethyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-methoxy-4-[1-[(3-methylimidazol-4-yl)methylamino]ethyl]phenoxy]ethanol
PubChem CID119110227
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name2-[2-methoxy-4-[1-[(3-methylimidazol-4-yl)methylamino]ethyl]phenoxy]ethanol
SMILESCOc1cc(C(C)NCc2cncn2C)ccc1OCCO
InChIInChI=1S/C16H23N3O3/c1-12(18-10-14-9-17-11-19(14)2)13-4-5-15(22-7-6-20)16(8-13)21-3/h4-5,8-9,11-12,18,20H,6-7,10H2,1-3H3
InChIKeyCXHKHKHUSWJAEB-UHFFFAOYSA-N
XLogP1.65
TPSA68.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-methoxy-4-[1-(pyridin-4-ylmethylamino)ethyl]phenoxy]ethanol
CID 110908334
2-[2-methoxy-4-[(1S)-1-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]phenoxy]ethanol
CID 95331813
2-[2-methoxy-4-[1-(1,3-thiazol-2-ylmethylamino)ethyl]phenoxy]ethanol
CID 110928652
2-[2-methoxy-4-[1-[(3-methylthiophen-2-yl)methylamino]ethyl]phenoxy]ethanol
CID 110908335
3-[[[(1S)-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]amino]methyl]phenol
CID 95336432
1-(4-fluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine
CID 62997912
(1R)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 81405813
N-[(3-methylimidazol-4-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine
CID 63002109
2-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]amino]ethanol
CID 7242151
(1S)-1-(3-fluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine
CID 81364798
2-[4-[1-[(2,6-dimethylpyrimidin-4-yl)amino]ethyl]-2-methoxyphenoxy]ethanol
CID 51086959
2-[4-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]-2-methoxyphenoxy]ethanol
CID 110010225

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[1-[(3-methylimidazol-4-yl)methylamino]ethyl]phenoxy]ethanol?
The IUPAC name of 2-[2-methoxy-4-[1-[(3-methylimidazol-4-yl)methylamino]ethyl]phenoxy]ethanol (CID 119110227) is 2-[2-methoxy-4-[1-[(3-methylimidazol-4-yl)methylamino]ethyl]phenoxy]ethanol.
What is the SMILES notation for 2-[2-methoxy-4-[1-[(3-methylimidazol-4-yl)methylamino]ethyl]phenoxy]ethanol?
The canonical SMILES for 2-[2-methoxy-4-[1-[(3-methylimidazol-4-yl)methylamino]ethyl]phenoxy]ethanol is COc1cc(C(C)NCc2cncn2C)ccc1OCCO.
What is the InChIKey of 2-[2-methoxy-4-[1-[(3-methylimidazol-4-yl)methylamino]ethyl]phenoxy]ethanol?
The InChIKey is CXHKHKHUSWJAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-12(18-10-14-9-17-11-19(14)2)13-4-5-15(22-7-6-20)16(8-13)21-3/h4-5,8-9,11-12,18,20H,6-7,10H2,1-3H3.
What are the key properties of 2-[2-methoxy-4-[1-[(3-methylimidazol-4-yl)methylamino]ethyl]phenoxy]ethanol?
2-[2-methoxy-4-[1-[(3-methylimidazol-4-yl)methylamino]ethyl]phenoxy]ethanol has a molecular weight of 305.38 g/mol, XLogP of 1.65, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[1-[(3-methylimidazol-4-yl)methylamino]ethyl]phenoxy]ethanol is sourced from PubChem (CID 119110227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).