N-[(4-aminophenyl)methyl]-3,5-difluoro-N-propan-2-ylpyridin-2-amine

C15H17F2N3 — CID 115993964

IUPACN-[(4-aminophenyl)methyl]-3,5-difluoro-N-propan-2-ylpyridin-2-amine
SMILESCC(C)N(Cc1ccc(N)cc1)c1ncc(F)cc1F
InChIInChI=1S/C15H17F2N3/c1-10(2)20(9-11-3-5-13(18)6-4-11)15-14(17)7-12(16)8-19-15/h3-8,10H,9,18H2,1-2H3
InChIKeyJPPXOWAWZCTQCR-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.36
Rot. Bonds4

About N-[(4-aminophenyl)methyl]-3,5-difluoro-N-propan-2-ylpyridin-2-amine

N-[(4-aminophenyl)methyl]-3,5-difluoro-N-propan-2-ylpyridin-2-amine (PubChem CID 115993964) has the molecular formula C15H17F2N3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-3,5-difluoro-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-3,5-difluoro-N-propan-2-ylpyridin-2-amine
PubChem CID115993964
Molecular FormulaC15H17F2N3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-[(4-aminophenyl)methyl]-3,5-difluoro-N-propan-2-ylpyridin-2-amine
SMILESCC(C)N(Cc1ccc(N)cc1)c1ncc(F)cc1F
InChIInChI=1S/C15H17F2N3/c1-10(2)20(9-11-3-5-13(18)6-4-11)15-14(17)7-12(16)8-19-15/h3-8,10H,9,18H2,1-2H3
InChIKeyJPPXOWAWZCTQCR-UHFFFAOYSA-N
XLogP3.36
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-3,5-difluoro-N-propan-2-ylpyridin-2-amine?
The IUPAC name of N-[(4-aminophenyl)methyl]-3,5-difluoro-N-propan-2-ylpyridin-2-amine (CID 115993964) is N-[(4-aminophenyl)methyl]-3,5-difluoro-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-3,5-difluoro-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for N-[(4-aminophenyl)methyl]-3,5-difluoro-N-propan-2-ylpyridin-2-amine is CC(C)N(Cc1ccc(N)cc1)c1ncc(F)cc1F.
What is the InChIKey of N-[(4-aminophenyl)methyl]-3,5-difluoro-N-propan-2-ylpyridin-2-amine?
The InChIKey is JPPXOWAWZCTQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3/c1-10(2)20(9-11-3-5-13(18)6-4-11)15-14(17)7-12(16)8-19-15/h3-8,10H,9,18H2,1-2H3.
What are the key properties of N-[(4-aminophenyl)methyl]-3,5-difluoro-N-propan-2-ylpyridin-2-amine?
N-[(4-aminophenyl)methyl]-3,5-difluoro-N-propan-2-ylpyridin-2-amine has a molecular weight of 277.32 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-3,5-difluoro-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 115993964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).