N-[[5-(3,5-dichlorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine

C14H13Cl2N3O — CID 107382024

IUPACN-[[5-(3,5-dichlorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine
SMILESClc1cc(Cl)cc(Oc2cnc(CNC3CC3)cn2)c1
InChIInChI=1S/C14H13Cl2N3O/c15-9-3-10(16)5-13(4-9)20-14-8-18-12(7-19-14)6-17-11-1-2-11/h3-5,7-8,11,17H,1-2,6H2
InChIKeyDTPNUPJEUZJQNO-UHFFFAOYSA-N
MW310.18 g/mol
LogP3.83
Rot. Bonds5

About N-[[5-(3,5-dichlorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine

N-[[5-(3,5-dichlorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine (PubChem CID 107382024) has the molecular formula C14H13Cl2N3O and a molecular weight of 310.18 g/mol. Its IUPAC name is N-[[5-(3,5-dichlorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(3,5-dichlorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine
PubChem CID107382024
Molecular FormulaC14H13Cl2N3O
Molecular Weight310.18 g/mol
Exact Mass309.04
IUPAC NameN-[[5-(3,5-dichlorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine
SMILESClc1cc(Cl)cc(Oc2cnc(CNC3CC3)cn2)c1
InChIInChI=1S/C14H13Cl2N3O/c15-9-3-10(16)5-13(4-9)20-14-8-18-12(7-19-14)6-17-11-1-2-11/h3-5,7-8,11,17H,1-2,6H2
InChIKeyDTPNUPJEUZJQNO-UHFFFAOYSA-N
XLogP3.83
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(3,5-dimethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 107381795
N-[[5-(3,4-difluorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 107382017
N-[[5-(2,4-dibromophenoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 107382210
N-[[5-(2-phenoxyethoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 107381473
N-[(5-phenylmethoxypyrazin-2-yl)methyl]cyclopropanamine
CID 107381343
N-[[6-(4-chloro-3,5-dimethylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine
CID 62322068
N-[[5-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 107381478
N-[(5-ethoxy-2-pyridinyl)methyl]cyclopropanamine
CID 79782890
N-[[5-(3,5-dimethylphenoxy)pyrazin-2-yl]methyl]propan-2-amine
CID 107381797
N-[[2-(3-bromo-4-fluorophenoxy)-5-chloro-4-pyridinyl]methyl]cyclopropanamine
CID 114929049
N-[[5-chloro-2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]cyclopropanamine
CID 114929107
N-[[5-[(5-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine
CID 103046450

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,5-dichlorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(3,5-dichlorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine (CID 107382024) is N-[[5-(3,5-dichlorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(3,5-dichlorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(3,5-dichlorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine is Clc1cc(Cl)cc(Oc2cnc(CNC3CC3)cn2)c1.
What is the InChIKey of N-[[5-(3,5-dichlorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine?
The InChIKey is DTPNUPJEUZJQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O/c15-9-3-10(16)5-13(4-9)20-14-8-18-12(7-19-14)6-17-11-1-2-11/h3-5,7-8,11,17H,1-2,6H2.
What are the key properties of N-[[5-(3,5-dichlorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine?
N-[[5-(3,5-dichlorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine has a molecular weight of 310.18 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,5-dichlorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 107382024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).