4-(4-amino-2,5-difluorophenoxy)-N-(cyclopropylmethyl)pyridin-2-amine

C15H15F2N3O — CID 123316704

IUPAC4-(4-amino-2,5-difluorophenoxy)-N-(cyclopropylmethyl)pyridin-2-amine
SMILESNc1cc(F)c(Oc2ccnc(NCC3CC3)c2)cc1F
InChIInChI=1S/C15H15F2N3O/c16-11-7-14(12(17)6-13(11)18)21-10-3-4-19-15(5-10)20-8-9-1-2-9/h3-7,9H,1-2,8,18H2,(H,19,20)
InChIKeyOEENKBZMGZVWGD-UHFFFAOYSA-N
MW291.30 g/mol
LogP3.56
Rot. Bonds5

About 4-(4-amino-2,5-difluorophenoxy)-N-(cyclopropylmethyl)pyridin-2-amine

4-(4-amino-2,5-difluorophenoxy)-N-(cyclopropylmethyl)pyridin-2-amine (PubChem CID 123316704) has the molecular formula C15H15F2N3O and a molecular weight of 291.30 g/mol. Its IUPAC name is 4-(4-amino-2,5-difluorophenoxy)-N-(cyclopropylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(4-amino-2,5-difluorophenoxy)-N-(cyclopropylmethyl)pyridin-2-amine
PubChem CID123316704
Molecular FormulaC15H15F2N3O
Molecular Weight291.30 g/mol
Exact Mass291.12
IUPAC Name4-(4-amino-2,5-difluorophenoxy)-N-(cyclopropylmethyl)pyridin-2-amine
SMILESNc1cc(F)c(Oc2ccnc(NCC3CC3)c2)cc1F
InChIInChI=1S/C15H15F2N3O/c16-11-7-14(12(17)6-13(11)18)21-10-3-4-19-15(5-10)20-8-9-1-2-9/h3-7,9H,1-2,8,18H2,(H,19,20)
InChIKeyOEENKBZMGZVWGD-UHFFFAOYSA-N
XLogP3.56
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2,5-difluorophenoxy)-N-(cyclopropylmethyl)pyridin-2-amine?
The IUPAC name of 4-(4-amino-2,5-difluorophenoxy)-N-(cyclopropylmethyl)pyridin-2-amine (CID 123316704) is 4-(4-amino-2,5-difluorophenoxy)-N-(cyclopropylmethyl)pyridin-2-amine.
What is the SMILES notation for 4-(4-amino-2,5-difluorophenoxy)-N-(cyclopropylmethyl)pyridin-2-amine?
The canonical SMILES for 4-(4-amino-2,5-difluorophenoxy)-N-(cyclopropylmethyl)pyridin-2-amine is Nc1cc(F)c(Oc2ccnc(NCC3CC3)c2)cc1F.
What is the InChIKey of 4-(4-amino-2,5-difluorophenoxy)-N-(cyclopropylmethyl)pyridin-2-amine?
The InChIKey is OEENKBZMGZVWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O/c16-11-7-14(12(17)6-13(11)18)21-10-3-4-19-15(5-10)20-8-9-1-2-9/h3-7,9H,1-2,8,18H2,(H,19,20).
What are the key properties of 4-(4-amino-2,5-difluorophenoxy)-N-(cyclopropylmethyl)pyridin-2-amine?
4-(4-amino-2,5-difluorophenoxy)-N-(cyclopropylmethyl)pyridin-2-amine has a molecular weight of 291.30 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2,5-difluorophenoxy)-N-(cyclopropylmethyl)pyridin-2-amine is sourced from PubChem (CID 123316704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).