1-(2-bromo-4-fluorophenyl)-1-cycloheptyl-N-methylmethanamine

C15H21BrFN — CID 105027896

IUPAC1-(2-bromo-4-fluorophenyl)-1-cycloheptyl-N-methylmethanamine
SMILESCNC(c1ccc(F)cc1Br)C1CCCCCC1
InChIInChI=1S/C15H21BrFN/c1-18-15(11-6-4-2-3-5-7-11)13-9-8-12(17)10-14(13)16/h8-11,15,18H,2-7H2,1H3
InChIKeyCELUZARKMDNYBN-UHFFFAOYSA-N
MW314.24 g/mol
LogP4.82
Rot. Bonds3

About 1-(2-bromo-4-fluorophenyl)-1-cycloheptyl-N-methylmethanamine

1-(2-bromo-4-fluorophenyl)-1-cycloheptyl-N-methylmethanamine (PubChem CID 105027896) has the molecular formula C15H21BrFN and a molecular weight of 314.24 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-1-cycloheptyl-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-1-cycloheptyl-N-methylmethanamine
PubChem CID105027896
Molecular FormulaC15H21BrFN
Molecular Weight314.24 g/mol
Exact Mass313.08
IUPAC Name1-(2-bromo-4-fluorophenyl)-1-cycloheptyl-N-methylmethanamine
SMILESCNC(c1ccc(F)cc1Br)C1CCCCCC1
InChIInChI=1S/C15H21BrFN/c1-18-15(11-6-4-2-3-5-7-11)13-9-8-12(17)10-14(13)16/h8-11,15,18H,2-7H2,1H3
InChIKeyCELUZARKMDNYBN-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.24
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-4-fluorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 104991067
1-(2-bromo-4-chlorophenyl)-1-cyclopentyl-N-methylmethanamine
CID 107991787
1-cycloheptyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 82932850
(2-bromo-4-fluorophenyl)-cyclohexylmethanol
CID 91636325
1-(4-bromo-2-methylphenyl)-1-cyclohexyl-N-methylmethanamine
CID 114980955
1-(3-bromo-5-fluorophenyl)-1-cyclohexyl-N-methylmethanamine
CID 66424249
[(2-bromo-4-fluorophenyl)-(4-methylcyclohexyl)methyl]hydrazine
CID 105311807
1-(2-bromo-4,5-dimethoxyphenyl)-1-cycloheptyl-N-methylmethanamine
CID 63509267
1-[4-bromo-2-(trifluoromethyl)phenyl]-1-cycloheptyl-N-methylmethanamine
CID 82932687
1-(5-chloro-2-fluorophenyl)-1-cycloheptyl-N-methylmethanamine
CID 114886204
2-(2-bromo-5-fluorophenyl)-1-cycloheptyl-N-methylethanamine
CID 65398871
1-(3-bromo-2-methylphenyl)-1-cyclohexyl-N-methylmethanamine
CID 114980961

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-1-cycloheptyl-N-methylmethanamine?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-1-cycloheptyl-N-methylmethanamine (CID 105027896) is 1-(2-bromo-4-fluorophenyl)-1-cycloheptyl-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-1-cycloheptyl-N-methylmethanamine?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-1-cycloheptyl-N-methylmethanamine is CNC(c1ccc(F)cc1Br)C1CCCCCC1.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-1-cycloheptyl-N-methylmethanamine?
The InChIKey is CELUZARKMDNYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFN/c1-18-15(11-6-4-2-3-5-7-11)13-9-8-12(17)10-14(13)16/h8-11,15,18H,2-7H2,1H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-1-cycloheptyl-N-methylmethanamine?
1-(2-bromo-4-fluorophenyl)-1-cycloheptyl-N-methylmethanamine has a molecular weight of 314.24 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-1-cycloheptyl-N-methylmethanamine is sourced from PubChem (CID 105027896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).