2-[1-[3-[(4-methoxyphenyl)methylamino]pyrazin-2-yl]ethylamino]ethanol

C16H22N4O2 — CID 174189613

IUPAC2-[1-[3-[(4-methoxyphenyl)methylamino]pyrazin-2-yl]ethylamino]ethanol
SMILESCOc1ccc(CNc2nccnc2C(C)NCCO)cc1
InChIInChI=1S/C16H22N4O2/c1-12(17-9-10-21)15-16(19-8-7-18-15)20-11-13-3-5-14(22-2)6-4-13/h3-8,12,17,21H,9-11H2,1-2H3,(H,19,20)
InChIKeyILJKPKIHKZLWIF-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.74
Rot. Bonds8

About 2-[1-[3-[(4-methoxyphenyl)methylamino]pyrazin-2-yl]ethylamino]ethanol

2-[1-[3-[(4-methoxyphenyl)methylamino]pyrazin-2-yl]ethylamino]ethanol (PubChem CID 174189613) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-[1-[3-[(4-methoxyphenyl)methylamino]pyrazin-2-yl]ethylamino]ethanol.

Molecular Properties

Compound Name2-[1-[3-[(4-methoxyphenyl)methylamino]pyrazin-2-yl]ethylamino]ethanol
PubChem CID174189613
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name2-[1-[3-[(4-methoxyphenyl)methylamino]pyrazin-2-yl]ethylamino]ethanol
SMILESCOc1ccc(CNc2nccnc2C(C)NCCO)cc1
InChIInChI=1S/C16H22N4O2/c1-12(17-9-10-21)15-16(19-8-7-18-15)20-11-13-3-5-14(22-2)6-4-13/h3-8,12,17,21H,9-11H2,1-2H3,(H,19,20)
InChIKeyILJKPKIHKZLWIF-UHFFFAOYSA-N
XLogP1.74
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine
CID 102612221
3-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxylic acid
CID 62710099
3-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 62735098
2-[(4-methoxyphenyl)methylamino]ethanol;hydrochloride
CID 17292349
2-[[(1R)-1-[2-[bis[(4-methoxyphenyl)methyl]amino]-3-pyridinyl]ethyl]amino]ethanol
CID 165405809
2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 28527658
1-[3-[(4-methoxyphenyl)methylamino]pyrazin-2-yl]pentane-1,3-dione
CID 176616355
ethane;N-[(4-methoxyphenyl)methyl]-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine
CID 168946264
4-[[(6-methoxyisoquinolin-1-yl)amino]methyl]phenol
CID 106539932
[4-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]phenyl]methanol
CID 107230230
(2R)-2-[[4-(2-hydroxyethylamino)-6-[(4-methoxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 23844986
2-chloro-N-[(4-methoxyphenyl)methyl]pteridin-4-amine
CID 82459612

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-[(4-methoxyphenyl)methylamino]pyrazin-2-yl]ethylamino]ethanol?
The IUPAC name of 2-[1-[3-[(4-methoxyphenyl)methylamino]pyrazin-2-yl]ethylamino]ethanol (CID 174189613) is 2-[1-[3-[(4-methoxyphenyl)methylamino]pyrazin-2-yl]ethylamino]ethanol.
What is the SMILES notation for 2-[1-[3-[(4-methoxyphenyl)methylamino]pyrazin-2-yl]ethylamino]ethanol?
The canonical SMILES for 2-[1-[3-[(4-methoxyphenyl)methylamino]pyrazin-2-yl]ethylamino]ethanol is COc1ccc(CNc2nccnc2C(C)NCCO)cc1.
What is the InChIKey of 2-[1-[3-[(4-methoxyphenyl)methylamino]pyrazin-2-yl]ethylamino]ethanol?
The InChIKey is ILJKPKIHKZLWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-12(17-9-10-21)15-16(19-8-7-18-15)20-11-13-3-5-14(22-2)6-4-13/h3-8,12,17,21H,9-11H2,1-2H3,(H,19,20).
What are the key properties of 2-[1-[3-[(4-methoxyphenyl)methylamino]pyrazin-2-yl]ethylamino]ethanol?
2-[1-[3-[(4-methoxyphenyl)methylamino]pyrazin-2-yl]ethylamino]ethanol has a molecular weight of 302.38 g/mol, XLogP of 1.74, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-[(4-methoxyphenyl)methylamino]pyrazin-2-yl]ethylamino]ethanol is sourced from PubChem (CID 174189613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).