1-(cyclohexen-1-yl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine

C15H20FN — CID 81477313

IUPAC1-(cyclohexen-1-yl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
SMILESCNC(C1=CCCCC1)c1cccc(C)c1F
InChIInChI=1S/C15H20FN/c1-11-7-6-10-13(14(11)16)15(17-2)12-8-4-3-5-9-12/h6-8,10,15,17H,3-5,9H2,1-2H3
InChIKeyQWVZKFITGHRHEO-UHFFFAOYSA-N
MW233.33 g/mol
LogP3.90
Rot. Bonds3

About 1-(cyclohexen-1-yl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine

1-(cyclohexen-1-yl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine (PubChem CID 81477313) has the molecular formula C15H20FN and a molecular weight of 233.33 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
PubChem CID81477313
Molecular FormulaC15H20FN
Molecular Weight233.33 g/mol
Exact Mass233.16
IUPAC Name1-(cyclohexen-1-yl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
SMILESCNC(C1=CCCCC1)c1cccc(C)c1F
InChIInChI=1S/C15H20FN/c1-11-7-6-10-13(14(11)16)15(17-2)12-8-4-3-5-9-12/h6-8,10,15,17H,3-5,9H2,1-2H3
InChIKeyQWVZKFITGHRHEO-UHFFFAOYSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 53.90
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

N-[cyclohexen-1-yl-(2-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 81477478
[(1E)-cycloocten-1-yl]-(2-fluoro-3-methylphenyl)methanol
CID 106657529
1-(cyclohepten-1-yl)-1-(2,6-difluorophenyl)-N-methylmethanamine
CID 55034371
1-(cyclohepten-1-yl)-1-(2,3-dimethoxyphenyl)-N-methylmethanamine
CID 106657148
1-[(1E)-cycloocten-1-yl]-1-[2-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 106656311
1-(5-bromo-2-fluorophenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine
CID 62079579
N-[cyclohexen-1-yl-(2-methylphenyl)methyl]ethanamine
CID 55034558
1-(2-chloro-4-methylphenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine
CID 106859015
1-(cyclohexen-1-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine
CID 55160436
1-(2-bromo-5-methylphenyl)-1-(cyclohepten-1-yl)-N-methylmethanamine
CID 81109444
1-[(1E)-cycloocten-1-yl]-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 106656781
1-[(1E)-cycloocten-1-yl]-N-methyl-1-(4-methylphenyl)methanamine
CID 106652492

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(cyclohexen-1-yl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine (CID 81477313) is 1-(cyclohexen-1-yl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(cyclohexen-1-yl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine is CNC(C1=CCCCC1)c1cccc(C)c1F.
What is the InChIKey of 1-(cyclohexen-1-yl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine?
The InChIKey is QWVZKFITGHRHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN/c1-11-7-6-10-13(14(11)16)15(17-2)12-8-4-3-5-9-12/h6-8,10,15,17H,3-5,9H2,1-2H3.
What are the key properties of 1-(cyclohexen-1-yl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine?
1-(cyclohexen-1-yl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine has a molecular weight of 233.33 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 81477313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).