N-(2,6-difluorophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine

C16H21F2N — CID 55197879

IUPACN-(2,6-difluorophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESCC1(C)C2CCC1(C)C(Nc1c(F)cccc1F)C2
InChIInChI=1S/C16H21F2N/c1-15(2)10-7-8-16(15,3)13(9-10)19-14-11(17)5-4-6-12(14)18/h4-6,10,13,19H,7-9H2,1-3H3
InChIKeyQUBJPKFKNNUIGM-UHFFFAOYSA-N
MW265.35 g/mol
LogP4.59
Rot. Bonds2

About N-(2,6-difluorophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine

N-(2,6-difluorophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine (PubChem CID 55197879) has the molecular formula C16H21F2N and a molecular weight of 265.35 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
PubChem CID55197879
Molecular FormulaC16H21F2N
Molecular Weight265.35 g/mol
Exact Mass265.16
IUPAC NameN-(2,6-difluorophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESCC1(C)C2CCC1(C)C(Nc1c(F)cccc1F)C2
InChIInChI=1S/C16H21F2N/c1-15(2)10-7-8-16(15,3)13(9-10)19-14-11(17)5-4-6-12(14)18/h4-6,10,13,19H,7-9H2,1-3H3
InChIKeyQUBJPKFKNNUIGM-UHFFFAOYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-2-amine
CID 116812924
(1S,2R,4R)-1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-amine
CID 22629760
(1R,2R,4R)-1,7,7-trimethyl-N-tritylbicyclo[2.2.1]heptan-2-amine
CID 101028806
1,7,7-trimethyl-N-(2-propan-2-ylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 63419456
2-methyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-3-amine
CID 79041755
N-(5-chloro-2-methylphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 63420128
N-(2,4-dibromophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 63427171
4-fluoro-N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide
CID 892493
[4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]phenyl]urea
CID 63022469
N-(2,4-dimethoxyphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 63418869
N-[2-(4-fluorophenyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride
CID 74070093
N-(3,3-dimethylcyclopentyl)-2,6-difluoroaniline
CID 80692653

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-(2,6-difluorophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine (CID 55197879) is N-(2,6-difluorophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-(2,6-difluorophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-(2,6-difluorophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine is CC1(C)C2CCC1(C)C(Nc1c(F)cccc1F)C2.
What is the InChIKey of N-(2,6-difluorophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is QUBJPKFKNNUIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N/c1-15(2)10-7-8-16(15,3)13(9-10)19-14-11(17)5-4-6-12(14)18/h4-6,10,13,19H,7-9H2,1-3H3.
What are the key properties of N-(2,6-difluorophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
N-(2,6-difluorophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 265.35 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 55197879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).