N-[[5-(4-chloro-2,6-dimethylphenoxy)pyrazin-2-yl]methyl]propan-2-amine

C16H20ClN3O — CID 107381682

IUPACN-[[5-(4-chloro-2,6-dimethylphenoxy)pyrazin-2-yl]methyl]propan-2-amine
SMILESCc1cc(Cl)cc(C)c1Oc1cnc(CNC(C)C)cn1
InChIInChI=1S/C16H20ClN3O/c1-10(2)18-7-14-8-20-15(9-19-14)21-16-11(3)5-13(17)6-12(16)4/h5-6,8-10,18H,7H2,1-4H3
InChIKeyMTTCWFKAULHCBG-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.04
Rot. Bonds5

About N-[[5-(4-chloro-2,6-dimethylphenoxy)pyrazin-2-yl]methyl]propan-2-amine

N-[[5-(4-chloro-2,6-dimethylphenoxy)pyrazin-2-yl]methyl]propan-2-amine (PubChem CID 107381682) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is N-[[5-(4-chloro-2,6-dimethylphenoxy)pyrazin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(4-chloro-2,6-dimethylphenoxy)pyrazin-2-yl]methyl]propan-2-amine
PubChem CID107381682
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC NameN-[[5-(4-chloro-2,6-dimethylphenoxy)pyrazin-2-yl]methyl]propan-2-amine
SMILESCc1cc(Cl)cc(C)c1Oc1cnc(CNC(C)C)cn1
InChIInChI=1S/C16H20ClN3O/c1-10(2)18-7-14-8-20-15(9-19-14)21-16-11(3)5-13(17)6-12(16)4/h5-6,8-10,18H,7H2,1-4H3
InChIKeyMTTCWFKAULHCBG-UHFFFAOYSA-N
XLogP4.04
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 ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(4-chloro-2,6-dimethylphenoxy)pyrazin-2-yl]methanamine
CID 107381680
N-[[5-(2,4,5-trichlorophenoxy)pyrazin-2-yl]methyl]propan-2-amine
CID 107381657
N-[[5-(3,5-dimethylphenoxy)pyrazin-2-yl]methyl]propan-2-amine
CID 107381797
N-[[4-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62295672
N-[[5-(3,5-difluorophenoxy)pyrazin-2-yl]methyl]propan-2-amine
CID 107382104
N-[[2-(4-chloro-2,6-dimethylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62297778
N-methyl-1-[5-(2,3,6-trimethylphenoxy)pyrazin-2-yl]methanamine
CID 107381984
N-[[5-(4-chloro-3-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107381639
6-(4-chloro-2,6-dimethylphenoxy)pyridine-3-carbaldehyde
CID 80632849
N-[[5-(1-methylpiperidin-4-yl)oxypyrazin-2-yl]methyl]propan-2-amine
CID 107381290
N-[[5-(2,3,6-trimethylphenoxy)pyrazin-2-yl]methyl]ethanamine
CID 107381985
N-[[5-(4,4,4-trifluorobutoxy)pyrazin-2-yl]methyl]propan-2-amine
CID 107382383

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chloro-2,6-dimethylphenoxy)pyrazin-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(4-chloro-2,6-dimethylphenoxy)pyrazin-2-yl]methyl]propan-2-amine (CID 107381682) is N-[[5-(4-chloro-2,6-dimethylphenoxy)pyrazin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(4-chloro-2,6-dimethylphenoxy)pyrazin-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(4-chloro-2,6-dimethylphenoxy)pyrazin-2-yl]methyl]propan-2-amine is Cc1cc(Cl)cc(C)c1Oc1cnc(CNC(C)C)cn1.
What is the InChIKey of N-[[5-(4-chloro-2,6-dimethylphenoxy)pyrazin-2-yl]methyl]propan-2-amine?
The InChIKey is MTTCWFKAULHCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-10(2)18-7-14-8-20-15(9-19-14)21-16-11(3)5-13(17)6-12(16)4/h5-6,8-10,18H,7H2,1-4H3.
What are the key properties of N-[[5-(4-chloro-2,6-dimethylphenoxy)pyrazin-2-yl]methyl]propan-2-amine?
N-[[5-(4-chloro-2,6-dimethylphenoxy)pyrazin-2-yl]methyl]propan-2-amine has a molecular weight of 305.81 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chloro-2,6-dimethylphenoxy)pyrazin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 107381682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).