2-(3,4-difluorophenyl)-2-methyl-3-pyridin-4-ylpropan-1-amine

C15H16F2N2 — CID 117049073

IUPAC2-(3,4-difluorophenyl)-2-methyl-3-pyridin-4-ylpropan-1-amine
SMILESCC(CN)(Cc1ccncc1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H16F2N2/c1-15(10-18,9-11-4-6-19-7-5-11)12-2-3-13(16)14(17)8-12/h2-8H,9-10,18H2,1H3
InChIKeyVPAROQDMXNVKHR-UHFFFAOYSA-N
MW262.30 g/mol
LogP2.82
Rot. Bonds4

About 2-(3,4-difluorophenyl)-2-methyl-3-pyridin-4-ylpropan-1-amine

2-(3,4-difluorophenyl)-2-methyl-3-pyridin-4-ylpropan-1-amine (PubChem CID 117049073) has the molecular formula C15H16F2N2 and a molecular weight of 262.30 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-2-methyl-3-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-2-methyl-3-pyridin-4-ylpropan-1-amine
PubChem CID117049073
Molecular FormulaC15H16F2N2
Molecular Weight262.30 g/mol
Exact Mass262.13
IUPAC Name2-(3,4-difluorophenyl)-2-methyl-3-pyridin-4-ylpropan-1-amine
SMILESCC(CN)(Cc1ccncc1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H16F2N2/c1-15(10-18,9-11-4-6-19-7-5-11)12-2-3-13(16)14(17)8-12/h2-8H,9-10,18H2,1H3
InChIKeyVPAROQDMXNVKHR-UHFFFAOYSA-N
XLogP2.82
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-2-methyl-3-pyridin-4-ylpropan-1-amine?
The IUPAC name of 2-(3,4-difluorophenyl)-2-methyl-3-pyridin-4-ylpropan-1-amine (CID 117049073) is 2-(3,4-difluorophenyl)-2-methyl-3-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for 2-(3,4-difluorophenyl)-2-methyl-3-pyridin-4-ylpropan-1-amine?
The canonical SMILES for 2-(3,4-difluorophenyl)-2-methyl-3-pyridin-4-ylpropan-1-amine is CC(CN)(Cc1ccncc1)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-2-methyl-3-pyridin-4-ylpropan-1-amine?
The InChIKey is VPAROQDMXNVKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2/c1-15(10-18,9-11-4-6-19-7-5-11)12-2-3-13(16)14(17)8-12/h2-8H,9-10,18H2,1H3.
What are the key properties of 2-(3,4-difluorophenyl)-2-methyl-3-pyridin-4-ylpropan-1-amine?
2-(3,4-difluorophenyl)-2-methyl-3-pyridin-4-ylpropan-1-amine has a molecular weight of 262.30 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-2-methyl-3-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 117049073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).