1-[2-(3-bromo-2,6-difluorophenyl)cycloheptyl]-N-methylmethanamine

C15H20BrF2N — CID 106943912

IUPAC1-[2-(3-bromo-2,6-difluorophenyl)cycloheptyl]-N-methylmethanamine
SMILESCNCC1CCCCCC1c1c(F)ccc(Br)c1F
InChIInChI=1S/C15H20BrF2N/c1-19-9-10-5-3-2-4-6-11(10)14-13(17)8-7-12(16)15(14)18/h7-8,10-11,19H,2-6,9H2,1H3
InChIKeyRBTZUELLFLCAQT-UHFFFAOYSA-N
MW332.23 g/mol
LogP4.61
Rot. Bonds3

About 1-[2-(3-bromo-2,6-difluorophenyl)cycloheptyl]-N-methylmethanamine

1-[2-(3-bromo-2,6-difluorophenyl)cycloheptyl]-N-methylmethanamine (PubChem CID 106943912) has the molecular formula C15H20BrF2N and a molecular weight of 332.23 g/mol. Its IUPAC name is 1-[2-(3-bromo-2,6-difluorophenyl)cycloheptyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-bromo-2,6-difluorophenyl)cycloheptyl]-N-methylmethanamine
PubChem CID106943912
Molecular FormulaC15H20BrF2N
Molecular Weight332.23 g/mol
Exact Mass331.07
IUPAC Name1-[2-(3-bromo-2,6-difluorophenyl)cycloheptyl]-N-methylmethanamine
SMILESCNCC1CCCCCC1c1c(F)ccc(Br)c1F
InChIInChI=1S/C15H20BrF2N/c1-19-9-10-5-3-2-4-6-11(10)14-13(17)8-7-12(16)15(14)18/h7-8,10-11,19H,2-6,9H2,1H3
InChIKeyRBTZUELLFLCAQT-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3-bromo-2,6-difluorophenyl)cyclobutyl]-N-methylmethanamine
CID 106943885
N-[[2-(3-bromo-2,6-difluorophenyl)cycloheptyl]methyl]propan-2-amine
CID 106943915
1-[2-(2,6-difluoro-3-methylphenyl)cycloheptyl]-N-methylmethanamine
CID 82828592
N-methyl-1-[2-(2,3,4-trifluorophenyl)cyclopentyl]methanamine
CID 81034120
1-[2-(2-fluorophenyl)cyclohexyl]-N-methylmethanamine
CID 81027217
1-[2-(2,4-difluorophenyl)cycloheptyl]-N-methylmethanamine
CID 81025058
2-(3-bromo-2,6-difluorophenyl)cycloheptane-1-carboxylic acid
CID 106943848
N-[[2-(2,6-difluoro-3-methylphenyl)cyclopentyl]methyl]propan-2-amine
CID 82827778
N-[[2-(2,6-difluoro-3-methylphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 82805177
1-[2-(2-fluorophenyl)cyclopentyl]-N-methylmethanamine
CID 81033471
1-[2-(4-fluoro-3-methylphenyl)cyclopentyl]-N-methylmethanamine
CID 81034558
1-[2-(2-fluoro-3-methoxyphenyl)cycloheptyl]-N-methylmethanamine
CID 82811219

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromo-2,6-difluorophenyl)cycloheptyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-bromo-2,6-difluorophenyl)cycloheptyl]-N-methylmethanamine (CID 106943912) is 1-[2-(3-bromo-2,6-difluorophenyl)cycloheptyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-bromo-2,6-difluorophenyl)cycloheptyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-bromo-2,6-difluorophenyl)cycloheptyl]-N-methylmethanamine is CNCC1CCCCCC1c1c(F)ccc(Br)c1F.
What is the InChIKey of 1-[2-(3-bromo-2,6-difluorophenyl)cycloheptyl]-N-methylmethanamine?
The InChIKey is RBTZUELLFLCAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrF2N/c1-19-9-10-5-3-2-4-6-11(10)14-13(17)8-7-12(16)15(14)18/h7-8,10-11,19H,2-6,9H2,1H3.
What are the key properties of 1-[2-(3-bromo-2,6-difluorophenyl)cycloheptyl]-N-methylmethanamine?
1-[2-(3-bromo-2,6-difluorophenyl)cycloheptyl]-N-methylmethanamine has a molecular weight of 332.23 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromo-2,6-difluorophenyl)cycloheptyl]-N-methylmethanamine is sourced from PubChem (CID 106943912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).