5-[(2,5-dichlorophenoxy)methyl]-N-propylpyrazin-2-amine

C14H15Cl2N3O — CID 103058081

IUPAC5-[(2,5-dichlorophenoxy)methyl]-N-propylpyrazin-2-amine
SMILESCCCNc1cnc(COc2cc(Cl)ccc2Cl)cn1
InChIInChI=1S/C14H15Cl2N3O/c1-2-5-17-14-8-18-11(7-19-14)9-20-13-6-10(15)3-4-12(13)16/h3-4,6-8H,2,5,9H2,1H3,(H,17,19)
InChIKeyKFKAVPWJFUUKSZ-UHFFFAOYSA-N
MW312.20 g/mol
LogP4.18
Rot. Bonds6

About 5-[(2,5-dichlorophenoxy)methyl]-N-propylpyrazin-2-amine

5-[(2,5-dichlorophenoxy)methyl]-N-propylpyrazin-2-amine (PubChem CID 103058081) has the molecular formula C14H15Cl2N3O and a molecular weight of 312.20 g/mol. Its IUPAC name is 5-[(2,5-dichlorophenoxy)methyl]-N-propylpyrazin-2-amine.

Molecular Properties

Compound Name5-[(2,5-dichlorophenoxy)methyl]-N-propylpyrazin-2-amine
PubChem CID103058081
Molecular FormulaC14H15Cl2N3O
Molecular Weight312.20 g/mol
Exact Mass311.06
IUPAC Name5-[(2,5-dichlorophenoxy)methyl]-N-propylpyrazin-2-amine
SMILESCCCNc1cnc(COc2cc(Cl)ccc2Cl)cn1
InChIInChI=1S/C14H15Cl2N3O/c1-2-5-17-14-8-18-11(7-19-14)9-20-13-6-10(15)3-4-12(13)16/h3-4,6-8H,2,5,9H2,1H3,(H,17,19)
InChIKeyKFKAVPWJFUUKSZ-UHFFFAOYSA-N
XLogP4.18
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-[(2,5-dichlorophenoxy)methyl]pyrazine
CID 103054688
5-[(3-bromo-4-fluorophenoxy)methyl]-N-propylpyrazin-2-amine
CID 103059413
3-[(2,5-dichlorophenoxy)methyl]-N-propylpyridin-2-amine
CID 63486701
5-[(3,5-difluorophenoxy)methyl]-N-propylpyrazin-2-amine
CID 103059023
5-[(2-chloro-4-methylphenoxy)methyl]-N-ethylpyrazin-2-amine
CID 103059015
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-propylpyrazin-2-amine
CID 103058609
5-[(2-chlorophenoxy)methyl]-N-methylpyrazin-2-amine
CID 103058191
5-[(5-chloro-2-methylphenoxy)methyl]pyrazin-2-amine
CID 103059224
5-(3,3-dimethylbutoxymethyl)-N-propylpyrazin-2-amine
CID 103059228
5-(2-butoxyethoxymethyl)-N-propylpyrazin-2-amine
CID 103058513
5-[(2-bromophenoxy)methyl]-N-ethylpyrazin-2-amine
CID 103058495
5-chloro-6-[(2,5-difluorophenoxy)methyl]-N-propylpyridin-2-amine
CID 63273486

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dichlorophenoxy)methyl]-N-propylpyrazin-2-amine?
The IUPAC name of 5-[(2,5-dichlorophenoxy)methyl]-N-propylpyrazin-2-amine (CID 103058081) is 5-[(2,5-dichlorophenoxy)methyl]-N-propylpyrazin-2-amine.
What is the SMILES notation for 5-[(2,5-dichlorophenoxy)methyl]-N-propylpyrazin-2-amine?
The canonical SMILES for 5-[(2,5-dichlorophenoxy)methyl]-N-propylpyrazin-2-amine is CCCNc1cnc(COc2cc(Cl)ccc2Cl)cn1.
What is the InChIKey of 5-[(2,5-dichlorophenoxy)methyl]-N-propylpyrazin-2-amine?
The InChIKey is KFKAVPWJFUUKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O/c1-2-5-17-14-8-18-11(7-19-14)9-20-13-6-10(15)3-4-12(13)16/h3-4,6-8H,2,5,9H2,1H3,(H,17,19).
What are the key properties of 5-[(2,5-dichlorophenoxy)methyl]-N-propylpyrazin-2-amine?
5-[(2,5-dichlorophenoxy)methyl]-N-propylpyrazin-2-amine has a molecular weight of 312.20 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dichlorophenoxy)methyl]-N-propylpyrazin-2-amine is sourced from PubChem (CID 103058081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).