N-(2-bromo-4-fluorophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine

C16H21BrFN — CID 63421949

IUPACN-(2-bromo-4-fluorophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESCC1(C)C2CCC1(C)C(Nc1ccc(F)cc1Br)C2
InChIInChI=1S/C16H21BrFN/c1-15(2)10-6-7-16(15,3)14(8-10)19-13-5-4-11(18)9-12(13)17/h4-5,9-10,14,19H,6-8H2,1-3H3
InChIKeyNMTJLOLUPWOZBQ-UHFFFAOYSA-N
MW326.25 g/mol
LogP5.21
Rot. Bonds2

About N-(2-bromo-4-fluorophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine

N-(2-bromo-4-fluorophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine (PubChem CID 63421949) has the molecular formula C16H21BrFN and a molecular weight of 326.25 g/mol. Its IUPAC name is N-(2-bromo-4-fluorophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-(2-bromo-4-fluorophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
PubChem CID63421949
Molecular FormulaC16H21BrFN
Molecular Weight326.25 g/mol
Exact Mass325.08
IUPAC NameN-(2-bromo-4-fluorophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESCC1(C)C2CCC1(C)C(Nc1ccc(F)cc1Br)C2
InChIInChI=1S/C16H21BrFN/c1-15(2)10-6-7-16(15,3)14(8-10)19-13-5-4-11(18)9-12(13)17/h4-5,9-10,14,19H,6-8H2,1-3H3
InChIKeyNMTJLOLUPWOZBQ-UHFFFAOYSA-N
XLogP5.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.25
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,4-dibromophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 63427171
N-(2-bromo-4-chlorophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 81264327
2-bromo-5-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
CID 60667301
N-(2,6-difluorophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 55197879
N-(5-chloro-2-methylphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 63420128
N-(4-bromo-3-methoxyphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 82857334
(1S,2R,4R)-1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-amine
CID 22629760
1,7,7-trimethyl-N-(2-propan-2-ylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 63419456
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 43781099
N-(2-methoxy-5-methylphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 63422790
3-cyano-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]benzenesulfonamide
CID 133320890
3-bromo-4-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
CID 107951700

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-fluorophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-(2-bromo-4-fluorophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine (CID 63421949) is N-(2-bromo-4-fluorophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-(2-bromo-4-fluorophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-(2-bromo-4-fluorophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine is CC1(C)C2CCC1(C)C(Nc1ccc(F)cc1Br)C2.
What is the InChIKey of N-(2-bromo-4-fluorophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is NMTJLOLUPWOZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrFN/c1-15(2)10-6-7-16(15,3)14(8-10)19-13-5-4-11(18)9-12(13)17/h4-5,9-10,14,19H,6-8H2,1-3H3.
What are the key properties of N-(2-bromo-4-fluorophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
N-(2-bromo-4-fluorophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 326.25 g/mol, XLogP of 5.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-fluorophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 63421949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).