N-(3,5-difluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

C14H18F2N2 — CID 43131668

IUPACN-(3,5-difluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1C2CCC1CC(Nc1cc(F)cc(F)c1)C2
InChIInChI=1S/C14H18F2N2/c1-18-13-2-3-14(18)8-12(7-13)17-11-5-9(15)4-10(16)6-11/h4-6,12-14,17H,2-3,7-8H2,1H3
InChIKeyQMFRTYJIRSHIST-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.00
Rot. Bonds2

About N-(3,5-difluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

N-(3,5-difluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 43131668) has the molecular formula C14H18F2N2 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID43131668
Molecular FormulaC14H18F2N2
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC NameN-(3,5-difluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1C2CCC1CC(Nc1cc(F)cc(F)c1)C2
InChIInChI=1S/C14H18F2N2/c1-18-13-2-3-14(18)8-12(7-13)17-11-5-9(15)4-10(16)6-11/h4-6,12-14,17H,2-3,7-8H2,1H3
InChIKeyQMFRTYJIRSHIST-UHFFFAOYSA-N
XLogP3.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-(3,5-difluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 43131668) is N-(3,5-difluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-(3,5-difluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-(3,5-difluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is CN1C2CCC1CC(Nc1cc(F)cc(F)c1)C2.
What is the InChIKey of N-(3,5-difluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is QMFRTYJIRSHIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2/c1-18-13-2-3-14(18)8-12(7-13)17-11-5-9(15)4-10(16)6-11/h4-6,12-14,17H,2-3,7-8H2,1H3.
What are the key properties of N-(3,5-difluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
N-(3,5-difluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 252.31 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 43131668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).