5-[[cyclopropyl(methyl)amino]methyl]-N-(3,5-difluorophenyl)-4-propan-2-ylpyridin-2-amine

C19H23F2N3 — CID 69129248

IUPAC5-[[cyclopropyl(methyl)amino]methyl]-N-(3,5-difluorophenyl)-4-propan-2-ylpyridin-2-amine
SMILESCC(C)c1cc(Nc2cc(F)cc(F)c2)ncc1CN(C)C1CC1
InChIInChI=1S/C19H23F2N3/c1-12(2)18-9-19(23-16-7-14(20)6-15(21)8-16)22-10-13(18)11-24(3)17-4-5-17/h6-10,12,17H,4-5,11H2,1-3H3,(H,22,23)
InChIKeyVGJNBPJGLOPEAY-UHFFFAOYSA-N
MW331.41 g/mol
LogP4.82
Rot. Bonds6

About 5-[[cyclopropyl(methyl)amino]methyl]-N-(3,5-difluorophenyl)-4-propan-2-ylpyridin-2-amine

5-[[cyclopropyl(methyl)amino]methyl]-N-(3,5-difluorophenyl)-4-propan-2-ylpyridin-2-amine (PubChem CID 69129248) has the molecular formula C19H23F2N3 and a molecular weight of 331.41 g/mol. Its IUPAC name is 5-[[cyclopropyl(methyl)amino]methyl]-N-(3,5-difluorophenyl)-4-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name5-[[cyclopropyl(methyl)amino]methyl]-N-(3,5-difluorophenyl)-4-propan-2-ylpyridin-2-amine
PubChem CID69129248
Molecular FormulaC19H23F2N3
Molecular Weight331.41 g/mol
Exact Mass331.19
IUPAC Name5-[[cyclopropyl(methyl)amino]methyl]-N-(3,5-difluorophenyl)-4-propan-2-ylpyridin-2-amine
SMILESCC(C)c1cc(Nc2cc(F)cc(F)c2)ncc1CN(C)C1CC1
InChIInChI=1S/C19H23F2N3/c1-12(2)18-9-19(23-16-7-14(20)6-15(21)8-16)22-10-13(18)11-24(3)17-4-5-17/h6-10,12,17H,4-5,11H2,1-3H3,(H,22,23)
InChIKeyVGJNBPJGLOPEAY-UHFFFAOYSA-N
XLogP4.82
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopropyl(methyl)amino]methyl]-N-(3,5-difluorophenyl)-4-propan-2-ylpyridin-2-amine?
The IUPAC name of 5-[[cyclopropyl(methyl)amino]methyl]-N-(3,5-difluorophenyl)-4-propan-2-ylpyridin-2-amine (CID 69129248) is 5-[[cyclopropyl(methyl)amino]methyl]-N-(3,5-difluorophenyl)-4-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 5-[[cyclopropyl(methyl)amino]methyl]-N-(3,5-difluorophenyl)-4-propan-2-ylpyridin-2-amine?
The canonical SMILES for 5-[[cyclopropyl(methyl)amino]methyl]-N-(3,5-difluorophenyl)-4-propan-2-ylpyridin-2-amine is CC(C)c1cc(Nc2cc(F)cc(F)c2)ncc1CN(C)C1CC1.
What is the InChIKey of 5-[[cyclopropyl(methyl)amino]methyl]-N-(3,5-difluorophenyl)-4-propan-2-ylpyridin-2-amine?
The InChIKey is VGJNBPJGLOPEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3/c1-12(2)18-9-19(23-16-7-14(20)6-15(21)8-16)22-10-13(18)11-24(3)17-4-5-17/h6-10,12,17H,4-5,11H2,1-3H3,(H,22,23).
What are the key properties of 5-[[cyclopropyl(methyl)amino]methyl]-N-(3,5-difluorophenyl)-4-propan-2-ylpyridin-2-amine?
5-[[cyclopropyl(methyl)amino]methyl]-N-(3,5-difluorophenyl)-4-propan-2-ylpyridin-2-amine has a molecular weight of 331.41 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopropyl(methyl)amino]methyl]-N-(3,5-difluorophenyl)-4-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 69129248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).