N-[[5-(3,4-difluorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine

C14H13F2N3O — CID 107382017

IUPACN-[[5-(3,4-difluorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine
SMILESFc1ccc(Oc2cnc(CNC3CC3)cn2)cc1F
InChIInChI=1S/C14H13F2N3O/c15-12-4-3-11(5-13(12)16)20-14-8-18-10(7-19-14)6-17-9-1-2-9/h3-5,7-9,17H,1-2,6H2
InChIKeyKUUMIDRDWZIMOR-UHFFFAOYSA-N
MW277.27 g/mol
LogP2.80
Rot. Bonds5

About N-[[5-(3,4-difluorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine

N-[[5-(3,4-difluorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine (PubChem CID 107382017) has the molecular formula C14H13F2N3O and a molecular weight of 277.27 g/mol. Its IUPAC name is N-[[5-(3,4-difluorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(3,4-difluorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine
PubChem CID107382017
Molecular FormulaC14H13F2N3O
Molecular Weight277.27 g/mol
Exact Mass277.10
IUPAC NameN-[[5-(3,4-difluorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine
SMILESFc1ccc(Oc2cnc(CNC3CC3)cn2)cc1F
InChIInChI=1S/C14H13F2N3O/c15-12-4-3-11(5-13(12)16)20-14-8-18-10(7-19-14)6-17-9-1-2-9/h3-5,7-9,17H,1-2,6H2
InChIKeyKUUMIDRDWZIMOR-UHFFFAOYSA-N
XLogP2.80
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(3,5-dichlorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 107382024
N-[[5-(3,5-dimethylphenoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 107381795
N-[[5-(2,4-dibromophenoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 107382210
N-[[3-(3,4-difluorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 106533424
N-[[2-(3-bromo-4-fluorophenoxy)-5-chloro-4-pyridinyl]methyl]cyclopropanamine
CID 114929049
N-[[5-(2-phenoxyethoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 107381473
N-[(5-phenylmethoxypyrazin-2-yl)methyl]cyclopropanamine
CID 107381343
N-[[5-[(5-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine
CID 103046450
N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]thian-4-amine
CID 42522770
N-[[5-(3-chloro-4-fluorophenoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107382158
N-[[5-(3-bromo-4-fluorophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107382420
N-[[5-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 107381478

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,4-difluorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(3,4-difluorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine (CID 107382017) is N-[[5-(3,4-difluorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(3,4-difluorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(3,4-difluorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine is Fc1ccc(Oc2cnc(CNC3CC3)cn2)cc1F.
What is the InChIKey of N-[[5-(3,4-difluorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine?
The InChIKey is KUUMIDRDWZIMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O/c15-12-4-3-11(5-13(12)16)20-14-8-18-10(7-19-14)6-17-9-1-2-9/h3-5,7-9,17H,1-2,6H2.
What are the key properties of N-[[5-(3,4-difluorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine?
N-[[5-(3,4-difluorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine has a molecular weight of 277.27 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,4-difluorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 107382017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).