N-[1-(2,6-difluorophenyl)ethyl]-6-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine

C16H21F2N3 — CID 167942426

IUPACN-[1-(2,6-difluorophenyl)ethyl]-6-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine
SMILESCC1CCC2CN=C(NC(C)c3c(F)cccc3F)N2C1
InChIInChI=1S/C16H21F2N3/c1-10-6-7-12-8-19-16(21(12)9-10)20-11(2)15-13(17)4-3-5-14(15)18/h3-5,10-12H,6-9H2,1-2H3,(H,19,20)
InChIKeyPFJFGKVNVQJDGP-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.09
Rot. Bonds2

About N-[1-(2,6-difluorophenyl)ethyl]-6-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine

N-[1-(2,6-difluorophenyl)ethyl]-6-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine (PubChem CID 167942426) has the molecular formula C16H21F2N3 and a molecular weight of 293.36 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)ethyl]-6-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)ethyl]-6-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine
PubChem CID167942426
Molecular FormulaC16H21F2N3
Molecular Weight293.36 g/mol
Exact Mass293.17
IUPAC NameN-[1-(2,6-difluorophenyl)ethyl]-6-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine
SMILESCC1CCC2CN=C(NC(C)c3c(F)cccc3F)N2C1
InChIInChI=1S/C16H21F2N3/c1-10-6-7-12-8-19-16(21(12)9-10)20-11(2)15-13(17)4-3-5-14(15)18/h3-5,10-12H,6-9H2,1-2H3,(H,19,20)
InChIKeyPFJFGKVNVQJDGP-UHFFFAOYSA-N
XLogP3.09
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]-6-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine?
The IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]-6-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine (CID 167942426) is N-[1-(2,6-difluorophenyl)ethyl]-6-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)ethyl]-6-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine?
The canonical SMILES for N-[1-(2,6-difluorophenyl)ethyl]-6-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine is CC1CCC2CN=C(NC(C)c3c(F)cccc3F)N2C1.
What is the InChIKey of N-[1-(2,6-difluorophenyl)ethyl]-6-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine?
The InChIKey is PFJFGKVNVQJDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3/c1-10-6-7-12-8-19-16(21(12)9-10)20-11(2)15-13(17)4-3-5-14(15)18/h3-5,10-12H,6-9H2,1-2H3,(H,19,20).
What are the key properties of N-[1-(2,6-difluorophenyl)ethyl]-6-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine?
N-[1-(2,6-difluorophenyl)ethyl]-6-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine has a molecular weight of 293.36 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-difluorophenyl)ethyl]-6-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine is sourced from PubChem (CID 167942426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).