N-(2,4-dibromophenyl)-4-methylcycloheptan-1-amine

C14H19Br2N — CID 65080810

IUPACN-(2,4-dibromophenyl)-4-methylcycloheptan-1-amine
SMILESCC1CCCC(Nc2ccc(Br)cc2Br)CC1
InChIInChI=1S/C14H19Br2N/c1-10-3-2-4-12(7-5-10)17-14-8-6-11(15)9-13(14)16/h6,8-10,12,17H,2-5,7H2,1H3
InChIKeyGFCOCSUQBPHDOS-UHFFFAOYSA-N
MW361.12 g/mol
LogP5.59
Rot. Bonds2

About N-(2,4-dibromophenyl)-4-methylcycloheptan-1-amine

N-(2,4-dibromophenyl)-4-methylcycloheptan-1-amine (PubChem CID 65080810) has the molecular formula C14H19Br2N and a molecular weight of 361.12 g/mol. Its IUPAC name is N-(2,4-dibromophenyl)-4-methylcycloheptan-1-amine.

Molecular Properties

Compound NameN-(2,4-dibromophenyl)-4-methylcycloheptan-1-amine
PubChem CID65080810
Molecular FormulaC14H19Br2N
Molecular Weight361.12 g/mol
Exact Mass358.99
IUPAC NameN-(2,4-dibromophenyl)-4-methylcycloheptan-1-amine
SMILESCC1CCCC(Nc2ccc(Br)cc2Br)CC1
InChIInChI=1S/C14H19Br2N/c1-10-3-2-4-12(7-5-10)17-14-8-6-11(15)9-13(14)16/h6,8-10,12,17H,2-5,7H2,1H3
InChIKeyGFCOCSUQBPHDOS-UHFFFAOYSA-N
XLogP5.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.12
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-bromo-2,5-difluorophenyl)-4-methylcycloheptan-1-amine
CID 107609540
N-(2,4-dibromophenyl)-1-methylpiperidin-4-amine
CID 43683065
5-bromo-6-[(4-methylcycloheptyl)amino]-1,3-dihydrobenzimidazol-2-one
CID 65080019
4-bromo-1-N-(3-methylcyclohexyl)benzene-1,2-diamine
CID 43317802
2-bromo-N-(4-methylcyclohexyl)-4-(methylsulfonimidoyl)aniline
CID 135226831
N-(3-bromo-4-methylphenyl)-4-methylcycloheptan-1-amine
CID 65080494
N-(2,4-dibromophenyl)-1-ethylpiperidin-4-amine
CID 43683069
3-methyl-4-[(4-methylcycloheptyl)amino]phenol
CID 65080297
N-(4-chloro-2-iodophenyl)-4-methylcycloheptan-1-amine
CID 107631855
N-(3-bromo-4-fluorophenyl)-4-methylcycloheptan-1-amine
CID 104776025
N-(2,4-dibromophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43683153
4-tert-butyl-N-(2,5-dibromophenyl)cycloheptan-1-amine
CID 65090161

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dibromophenyl)-4-methylcycloheptan-1-amine?
The IUPAC name of N-(2,4-dibromophenyl)-4-methylcycloheptan-1-amine (CID 65080810) is N-(2,4-dibromophenyl)-4-methylcycloheptan-1-amine.
What is the SMILES notation for N-(2,4-dibromophenyl)-4-methylcycloheptan-1-amine?
The canonical SMILES for N-(2,4-dibromophenyl)-4-methylcycloheptan-1-amine is CC1CCCC(Nc2ccc(Br)cc2Br)CC1.
What is the InChIKey of N-(2,4-dibromophenyl)-4-methylcycloheptan-1-amine?
The InChIKey is GFCOCSUQBPHDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br2N/c1-10-3-2-4-12(7-5-10)17-14-8-6-11(15)9-13(14)16/h6,8-10,12,17H,2-5,7H2,1H3.
What are the key properties of N-(2,4-dibromophenyl)-4-methylcycloheptan-1-amine?
N-(2,4-dibromophenyl)-4-methylcycloheptan-1-amine has a molecular weight of 361.12 g/mol, XLogP of 5.59, 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)-4-methylcycloheptan-1-amine is sourced from PubChem (CID 65080810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).