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

C16H21Br2N — CID 63427171

IUPACN-(2,4-dibromophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESCC1(C)C2CCC1(C)C(Nc1ccc(Br)cc1Br)C2
InChIInChI=1S/C16H21Br2N/c1-15(2)10-6-7-16(15,3)14(8-10)19-13-5-4-11(17)9-12(13)18/h4-5,9-10,14,19H,6-8H2,1-3H3
InChIKeyRVSYLYSBWMMMTI-UHFFFAOYSA-N
MW387.16 g/mol
LogP5.84
Rot. Bonds2

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

N-(2,4-dibromophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine (PubChem CID 63427171) has the molecular formula C16H21Br2N and a molecular weight of 387.16 g/mol. Its IUPAC name is N-(2,4-dibromophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-(2,4-dibromophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
PubChem CID63427171
Molecular FormulaC16H21Br2N
Molecular Weight387.16 g/mol
Exact Mass385.00
IUPAC NameN-(2,4-dibromophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESCC1(C)C2CCC1(C)C(Nc1ccc(Br)cc1Br)C2
InChIInChI=1S/C16H21Br2N/c1-15(2)10-6-7-16(15,3)14(8-10)19-13-5-4-11(17)9-12(13)18/h4-5,9-10,14,19H,6-8H2,1-3H3
InChIKeyRVSYLYSBWMMMTI-UHFFFAOYSA-N
XLogP5.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.16
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromo-4-fluorophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 63421949
N-(2-bromo-4-chlorophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 81264327
2,4-dibromo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
CID 107951697
N-(2,4-dimethoxyphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 63418869
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
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
N-(2,6-difluorophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 55197879
N-[(2-bromo-5-chlorophenyl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 66161061
2-chloro-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]benzonitrile
CID 63423457

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dibromophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-(2,4-dibromophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine (CID 63427171) is N-(2,4-dibromophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-(2,4-dibromophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-(2,4-dibromophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine is CC1(C)C2CCC1(C)C(Nc1ccc(Br)cc1Br)C2.
What is the InChIKey of N-(2,4-dibromophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is RVSYLYSBWMMMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Br2N/c1-15(2)10-6-7-16(15,3)14(8-10)19-13-5-4-11(17)9-12(13)18/h4-5,9-10,14,19H,6-8H2,1-3H3.
What are the key properties of N-(2,4-dibromophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
N-(2,4-dibromophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 387.16 g/mol, XLogP of 5.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dibromophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 63427171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).