1-(5-bromo-2-fluorophenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine

C14H17BrFN — CID 62079579

IUPAC1-(5-bromo-2-fluorophenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine
SMILESCNC(C1=CCCCC1)c1cc(Br)ccc1F
InChIInChI=1S/C14H17BrFN/c1-17-14(10-5-3-2-4-6-10)12-9-11(15)7-8-13(12)16/h5,7-9,14,17H,2-4,6H2,1H3
InChIKeyICPOSDYSNMUILY-UHFFFAOYSA-N
MW298.20 g/mol
LogP4.35
Rot. Bonds3

About 1-(5-bromo-2-fluorophenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine

1-(5-bromo-2-fluorophenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine (PubChem CID 62079579) has the molecular formula C14H17BrFN and a molecular weight of 298.20 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine
PubChem CID62079579
Molecular FormulaC14H17BrFN
Molecular Weight298.20 g/mol
Exact Mass297.05
IUPAC Name1-(5-bromo-2-fluorophenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine
SMILESCNC(C1=CCCCC1)c1cc(Br)ccc1F
InChIInChI=1S/C14H17BrFN/c1-17-14(10-5-3-2-4-6-10)12-9-11(15)7-8-13(12)16/h5,7-9,14,17H,2-4,6H2,1H3
InChIKeyICPOSDYSNMUILY-UHFFFAOYSA-N
XLogP4.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.20
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(1E)-cycloocten-1-yl]-1-(2,4-dibromophenyl)-N-methylmethanamine
CID 107947117
1-(4-bromo-2-methoxyphenyl)-1-(cyclohepten-1-yl)-N-methylmethanamine
CID 115368980
(5-bromo-2-fluorophenyl)-[(1E)-cycloocten-1-yl]methanamine
CID 106654768
N-[(4-bromo-2-fluorophenyl)-(cyclohexen-1-yl)methyl]ethanamine
CID 55196270
1-(cyclohexen-1-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine
CID 55160436
N-[(4-bromo-2-fluorophenyl)-[(1E)-cycloocten-1-yl]methyl]ethanamine
CID 106654774
1-(2-bromo-5-methylphenyl)-1-(cyclohepten-1-yl)-N-methylmethanamine
CID 81109444
1-(cyclohexen-1-yl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 81477313
1-(5-bromo-2-fluorophenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 43482895
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
CID 103302180
1-(2-chloro-4-methylphenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine
CID 106859015
1-(3-chloro-4-fluorophenyl)-1-[(1E)-cycloocten-1-yl]-N-methylmethanamine
CID 106652930

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine (CID 62079579) is 1-(5-bromo-2-fluorophenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine is CNC(C1=CCCCC1)c1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine?
The InChIKey is ICPOSDYSNMUILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFN/c1-17-14(10-5-3-2-4-6-10)12-9-11(15)7-8-13(12)16/h5,7-9,14,17H,2-4,6H2,1H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine?
1-(5-bromo-2-fluorophenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine has a molecular weight of 298.20 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine is sourced from PubChem (CID 62079579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).