2-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-methylamino]ethanol

C14H16ClN3O2 — CID 133381567

IUPAC2-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-methylamino]ethanol
SMILESCN(CCO)c1cncc(OCc2cccc(Cl)c2)n1
InChIInChI=1S/C14H16ClN3O2/c1-18(5-6-19)13-8-16-9-14(17-13)20-10-11-3-2-4-12(15)7-11/h2-4,7-9,19H,5-6,10H2,1H3
InChIKeyUFYCKPQDZUSPHO-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.14
Rot. Bonds6

About 2-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-methylamino]ethanol

2-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-methylamino]ethanol (PubChem CID 133381567) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 2-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-methylamino]ethanol
PubChem CID133381567
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name2-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-methylamino]ethanol
SMILESCN(CCO)c1cncc(OCc2cccc(Cl)c2)n1
InChIInChI=1S/C14H16ClN3O2/c1-18(5-6-19)13-8-16-9-14(17-13)20-10-11-3-2-4-12(15)7-11/h2-4,7-9,19H,5-6,10H2,1H3
InChIKeyUFYCKPQDZUSPHO-UHFFFAOYSA-N
XLogP2.14
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-[(3-chlorophenyl)methoxy]pyridine
CID 66232556
6-(chloromethyl)-N-[(3-chlorophenyl)methyl]-N-methylpyrazin-2-amine
CID 66465731
methyl 6-[(3-chlorophenyl)methyl-methylamino]pyrazine-2-carboxylate
CID 66458224
trans-(1S,2S)-2-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]amino]cyclohexan-1-ol
CID 133495474
2-chloro-4-[(3-chlorophenyl)methoxy]-6-methylpyrimidine
CID 65124564
3-[(6-chloropyrazin-2-yl)oxymethyl]benzonitrile
CID 22481973
(1S,2R)-1-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol
CID 133448139
6-[(3-chlorophenyl)methoxy]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazin-2-amine
CID 133405618
1-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]pyrrolidine-3-carboxylic acid
CID 122048524
1-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-5-methoxypiperidine-3-carboxylic acid
CID 167949849
[3-[(3-chlorophenyl)methoxy]-4-pyridinyl]methanol
CID 105067190
1-chloro-3-[(4-methoxyphenoxy)methyl]benzene
CID 112788879

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-methylamino]ethanol?
The IUPAC name of 2-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-methylamino]ethanol (CID 133381567) is 2-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-methylamino]ethanol.
What is the SMILES notation for 2-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-methylamino]ethanol?
The canonical SMILES for 2-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-methylamino]ethanol is CN(CCO)c1cncc(OCc2cccc(Cl)c2)n1.
What is the InChIKey of 2-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-methylamino]ethanol?
The InChIKey is UFYCKPQDZUSPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-18(5-6-19)13-8-16-9-14(17-13)20-10-11-3-2-4-12(15)7-11/h2-4,7-9,19H,5-6,10H2,1H3.
What are the key properties of 2-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-methylamino]ethanol?
2-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-methylamino]ethanol has a molecular weight of 293.75 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-methylamino]ethanol is sourced from PubChem (CID 133381567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).