1-[1-amino-2-(5-bromo-2-fluorophenyl)ethyl]-N,N-dimethylcycloheptan-1-amine

C17H26BrFN2 — CID 79063733

IUPAC1-[1-amino-2-(5-bromo-2-fluorophenyl)ethyl]-N,N-dimethylcycloheptan-1-amine
SMILESCN(C)C1(C(N)Cc2cc(Br)ccc2F)CCCCCC1
InChIInChI=1S/C17H26BrFN2/c1-21(2)17(9-5-3-4-6-10-17)16(20)12-13-11-14(18)7-8-15(13)19/h7-8,11,16H,3-6,9-10,12,20H2,1-2H3
InChIKeyXDWZLZDKTAJZFN-UHFFFAOYSA-N
MW357.31 g/mol
LogP4.11
Rot. Bonds4

About 1-[1-amino-2-(5-bromo-2-fluorophenyl)ethyl]-N,N-dimethylcycloheptan-1-amine

1-[1-amino-2-(5-bromo-2-fluorophenyl)ethyl]-N,N-dimethylcycloheptan-1-amine (PubChem CID 79063733) has the molecular formula C17H26BrFN2 and a molecular weight of 357.31 g/mol. Its IUPAC name is 1-[1-amino-2-(5-bromo-2-fluorophenyl)ethyl]-N,N-dimethylcycloheptan-1-amine.

Molecular Properties

Compound Name1-[1-amino-2-(5-bromo-2-fluorophenyl)ethyl]-N,N-dimethylcycloheptan-1-amine
PubChem CID79063733
Molecular FormulaC17H26BrFN2
Molecular Weight357.31 g/mol
Exact Mass356.13
IUPAC Name1-[1-amino-2-(5-bromo-2-fluorophenyl)ethyl]-N,N-dimethylcycloheptan-1-amine
SMILESCN(C)C1(C(N)Cc2cc(Br)ccc2F)CCCCCC1
InChIInChI=1S/C17H26BrFN2/c1-21(2)17(9-5-3-4-6-10-17)16(20)12-13-11-14(18)7-8-15(13)19/h7-8,11,16H,3-6,9-10,12,20H2,1-2H3
InChIKeyXDWZLZDKTAJZFN-UHFFFAOYSA-N
XLogP4.11
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.31
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[1-amino-2-(5-bromo-2-fluorophenyl)ethyl]-N,N-dimethylcycloheptan-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

Related Compounds

1-[1-amino-2-(3-bromophenyl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79066288
1-[1-amino-2-(2-chloro-5-fluorophenyl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 102619079
1-[1-amino-2-(2-bromophenyl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79066221
1-[1-amino-2-(5-fluoro-2-methylphenyl)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 105374090
2-(5-bromo-2-fluorophenyl)-1-cyclohexylethanamine
CID 55095635
1-[1-amino-2-(5-bromo-2-pyridinyl)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 104803081
2-(5-bromo-2-fluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanone
CID 79066408
[2-(5-bromo-2-fluorophenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethyl]hydrazine
CID 105294936
[2-(5-bromo-2-fluorophenyl)-1-(1-methylcyclopropyl)ethyl]hydrazine
CID 105253385
2-(5-bromo-2-methoxyphenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol
CID 79061363
1-[1-amino-2-(2-fluoro-3-methoxyphenyl)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 104794103
1-[(5-bromo-2-fluorophenyl)methyl]cycloheptan-1-ol
CID 65147295

Frequently Asked Questions

What is the IUPAC name of 1-[1-amino-2-(5-bromo-2-fluorophenyl)ethyl]-N,N-dimethylcycloheptan-1-amine?
The IUPAC name of 1-[1-amino-2-(5-bromo-2-fluorophenyl)ethyl]-N,N-dimethylcycloheptan-1-amine (CID 79063733) is 1-[1-amino-2-(5-bromo-2-fluorophenyl)ethyl]-N,N-dimethylcycloheptan-1-amine.
What is the SMILES notation for 1-[1-amino-2-(5-bromo-2-fluorophenyl)ethyl]-N,N-dimethylcycloheptan-1-amine?
The canonical SMILES for 1-[1-amino-2-(5-bromo-2-fluorophenyl)ethyl]-N,N-dimethylcycloheptan-1-amine is CN(C)C1(C(N)Cc2cc(Br)ccc2F)CCCCCC1.
What is the InChIKey of 1-[1-amino-2-(5-bromo-2-fluorophenyl)ethyl]-N,N-dimethylcycloheptan-1-amine?
The InChIKey is XDWZLZDKTAJZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrFN2/c1-21(2)17(9-5-3-4-6-10-17)16(20)12-13-11-14(18)7-8-15(13)19/h7-8,11,16H,3-6,9-10,12,20H2,1-2H3.
What are the key properties of 1-[1-amino-2-(5-bromo-2-fluorophenyl)ethyl]-N,N-dimethylcycloheptan-1-amine?
1-[1-amino-2-(5-bromo-2-fluorophenyl)ethyl]-N,N-dimethylcycloheptan-1-amine has a molecular weight of 357.31 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-amino-2-(5-bromo-2-fluorophenyl)ethyl]-N,N-dimethylcycloheptan-1-amine is sourced from PubChem (CID 79063733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).