N-(2-bromo-4,6-difluorophenyl)-4-tert-butylcycloheptan-1-amine

C17H24BrF2N — CID 65089523

IUPACN-(2-bromo-4,6-difluorophenyl)-4-tert-butylcycloheptan-1-amine
SMILESCC(C)(C)C1CCCC(Nc2c(F)cc(F)cc2Br)CC1
InChIInChI=1S/C17H24BrF2N/c1-17(2,3)11-5-4-6-13(8-7-11)21-16-14(18)9-12(19)10-15(16)20/h9-11,13,21H,4-8H2,1-3H3
InChIKeyASDIZUUDENDAAX-UHFFFAOYSA-N
MW360.29 g/mol
LogP6.13
Rot. Bonds2

About N-(2-bromo-4,6-difluorophenyl)-4-tert-butylcycloheptan-1-amine

N-(2-bromo-4,6-difluorophenyl)-4-tert-butylcycloheptan-1-amine (PubChem CID 65089523) has the molecular formula C17H24BrF2N and a molecular weight of 360.29 g/mol. Its IUPAC name is N-(2-bromo-4,6-difluorophenyl)-4-tert-butylcycloheptan-1-amine.

Molecular Properties

Compound NameN-(2-bromo-4,6-difluorophenyl)-4-tert-butylcycloheptan-1-amine
PubChem CID65089523
Molecular FormulaC17H24BrF2N
Molecular Weight360.29 g/mol
Exact Mass359.11
IUPAC NameN-(2-bromo-4,6-difluorophenyl)-4-tert-butylcycloheptan-1-amine
SMILESCC(C)(C)C1CCCC(Nc2c(F)cc(F)cc2Br)CC1
InChIInChI=1S/C17H24BrF2N/c1-17(2,3)11-5-4-6-13(8-7-11)21-16-14(18)9-12(19)10-15(16)20/h9-11,13,21H,4-8H2,1-3H3
InChIKeyASDIZUUDENDAAX-UHFFFAOYSA-N
XLogP6.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.29
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2-bromo-4,6-difluorophenyl)-4-tert-butylcycloheptan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,6-difluorophenyl)-4-tert-butylcycloheptan-1-amine?
The IUPAC name of N-(2-bromo-4,6-difluorophenyl)-4-tert-butylcycloheptan-1-amine (CID 65089523) is N-(2-bromo-4,6-difluorophenyl)-4-tert-butylcycloheptan-1-amine.
What is the SMILES notation for N-(2-bromo-4,6-difluorophenyl)-4-tert-butylcycloheptan-1-amine?
The canonical SMILES for N-(2-bromo-4,6-difluorophenyl)-4-tert-butylcycloheptan-1-amine is CC(C)(C)C1CCCC(Nc2c(F)cc(F)cc2Br)CC1.
What is the InChIKey of N-(2-bromo-4,6-difluorophenyl)-4-tert-butylcycloheptan-1-amine?
The InChIKey is ASDIZUUDENDAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrF2N/c1-17(2,3)11-5-4-6-13(8-7-11)21-16-14(18)9-12(19)10-15(16)20/h9-11,13,21H,4-8H2,1-3H3.
What are the key properties of N-(2-bromo-4,6-difluorophenyl)-4-tert-butylcycloheptan-1-amine?
N-(2-bromo-4,6-difluorophenyl)-4-tert-butylcycloheptan-1-amine has a molecular weight of 360.29 g/mol, XLogP of 6.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,6-difluorophenyl)-4-tert-butylcycloheptan-1-amine is sourced from PubChem (CID 65089523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).