6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-ethylpyrazin-2-amine

C16H20ClN3O — CID 80875965

IUPAC6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-ethylpyrazin-2-amine
SMILESCCNc1cncc(Oc2cc(C(C)C)c(Cl)cc2C)n1
InChIInChI=1S/C16H20ClN3O/c1-5-19-15-8-18-9-16(20-15)21-14-7-12(10(2)3)13(17)6-11(14)4/h6-10H,5H2,1-4H3,(H,19,20)
InChIKeyKLIUCTSVZPKRBK-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.79
Rot. Bonds5

About 6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-ethylpyrazin-2-amine

6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-ethylpyrazin-2-amine (PubChem CID 80875965) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-ethylpyrazin-2-amine.

Molecular Properties

Compound Name6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-ethylpyrazin-2-amine
PubChem CID80875965
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-ethylpyrazin-2-amine
SMILESCCNc1cncc(Oc2cc(C(C)C)c(Cl)cc2C)n1
InChIInChI=1S/C16H20ClN3O/c1-5-19-15-8-18-9-16(20-15)21-14-7-12(10(2)3)13(17)6-11(14)4/h6-10H,5H2,1-4H3,(H,19,20)
InChIKeyKLIUCTSVZPKRBK-UHFFFAOYSA-N
XLogP4.79
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-ethylpyrimidin-4-amine
CID 80874108
N-ethyl-6-(2,4,5-trichlorophenoxy)pyrazin-2-amine
CID 80863080
N-ethyl-6-(2,3,5-trimethylphenoxy)pyrazin-2-amine
CID 80881852
4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-6-hydrazinylpyrimidin-2-amine
CID 80912189
2-bromo-6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine
CID 63961923
2,4-dichloro-6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-1,3,5-triazine
CID 60726056
[6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-3-pyridinyl]methanol
CID 61256523
6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine-3-carbaldehyde
CID 80631862
2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridin-4-amine
CID 63457442
4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N,5-dimethylpyrimidin-2-amine
CID 80875963
N-ethyl-6-methoxypyrazin-2-amine
CID 21419063
4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-methylpyrimidin-2-amine
CID 80875257

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-ethylpyrazin-2-amine?
The IUPAC name of 6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-ethylpyrazin-2-amine (CID 80875965) is 6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-ethylpyrazin-2-amine.
What is the SMILES notation for 6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-ethylpyrazin-2-amine?
The canonical SMILES for 6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-ethylpyrazin-2-amine is CCNc1cncc(Oc2cc(C(C)C)c(Cl)cc2C)n1.
What is the InChIKey of 6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-ethylpyrazin-2-amine?
The InChIKey is KLIUCTSVZPKRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-5-19-15-8-18-9-16(20-15)21-14-7-12(10(2)3)13(17)6-11(14)4/h6-10H,5H2,1-4H3,(H,19,20).
What are the key properties of 6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-ethylpyrazin-2-amine?
6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-ethylpyrazin-2-amine has a molecular weight of 305.81 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-ethylpyrazin-2-amine is sourced from PubChem (CID 80875965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).