1-(cyclohepten-1-yl)-1-(2,6-difluorophenyl)-N-methylmethanamine

C15H19F2N — CID 55034371

IUPAC1-(cyclohepten-1-yl)-1-(2,6-difluorophenyl)-N-methylmethanamine
SMILESCNC(C1=CCCCCC1)c1c(F)cccc1F
InChIInChI=1S/C15H19F2N/c1-18-15(11-7-4-2-3-5-8-11)14-12(16)9-6-10-13(14)17/h6-7,9-10,15,18H,2-5,8H2,1H3
InChIKeyVQSXRTWNYISMDV-UHFFFAOYSA-N
MW251.32 g/mol
LogP4.12
Rot. Bonds3

About 1-(cyclohepten-1-yl)-1-(2,6-difluorophenyl)-N-methylmethanamine

1-(cyclohepten-1-yl)-1-(2,6-difluorophenyl)-N-methylmethanamine (PubChem CID 55034371) has the molecular formula C15H19F2N and a molecular weight of 251.32 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-1-(2,6-difluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-1-(2,6-difluorophenyl)-N-methylmethanamine
PubChem CID55034371
Molecular FormulaC15H19F2N
Molecular Weight251.32 g/mol
Exact Mass251.15
IUPAC Name1-(cyclohepten-1-yl)-1-(2,6-difluorophenyl)-N-methylmethanamine
SMILESCNC(C1=CCCCCC1)c1c(F)cccc1F
InChIInChI=1S/C15H19F2N/c1-18-15(11-7-4-2-3-5-8-11)14-12(16)9-6-10-13(14)17/h6-7,9-10,15,18H,2-5,8H2,1H3
InChIKeyVQSXRTWNYISMDV-UHFFFAOYSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.32
LogP ≤ 54.12
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-(cyclohexen-1-yl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 81477313
1-(cyclohexen-1-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine
CID 55160436
[(1E)-cycloocten-1-yl]-(2,6-difluorophenyl)methanol
CID 106651011
N-[(2-bromo-6-fluorophenyl)-(cyclohepten-1-yl)methyl]ethanamine
CID 114559017
1-(4-chloro-3-fluorophenyl)-1-(cyclohepten-1-yl)-N-methylmethanamine
CID 107995961
1-(3-chloro-4-fluorophenyl)-1-[(1E)-cycloocten-1-yl]-N-methylmethanamine
CID 106652930
1-[(1E)-cycloocten-1-yl]-N-methyl-1-(4-methylphenyl)methanamine
CID 106652492
1-(5-bromo-2-fluorophenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine
CID 62079579
1-(cyclohepten-1-yl)-2-(2-fluorophenyl)-N-methylethanamine
CID 62078209
N-[cyclohexen-1-yl-(2-fluoro-6-methoxyphenyl)methyl]propan-1-amine
CID 65433819
1-(cyclohepten-1-yl)-N-methyl-1-pyridin-4-ylmethanamine
CID 82237298
N-[(2-bromo-3-fluorophenyl)-[(1E)-cycloocten-1-yl]methyl]ethanamine
CID 106656684

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-1-(2,6-difluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(cyclohepten-1-yl)-1-(2,6-difluorophenyl)-N-methylmethanamine (CID 55034371) is 1-(cyclohepten-1-yl)-1-(2,6-difluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(cyclohepten-1-yl)-1-(2,6-difluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(cyclohepten-1-yl)-1-(2,6-difluorophenyl)-N-methylmethanamine is CNC(C1=CCCCCC1)c1c(F)cccc1F.
What is the InChIKey of 1-(cyclohepten-1-yl)-1-(2,6-difluorophenyl)-N-methylmethanamine?
The InChIKey is VQSXRTWNYISMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N/c1-18-15(11-7-4-2-3-5-8-11)14-12(16)9-6-10-13(14)17/h6-7,9-10,15,18H,2-5,8H2,1H3.
What are the key properties of 1-(cyclohepten-1-yl)-1-(2,6-difluorophenyl)-N-methylmethanamine?
1-(cyclohepten-1-yl)-1-(2,6-difluorophenyl)-N-methylmethanamine has a molecular weight of 251.32 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohepten-1-yl)-1-(2,6-difluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 55034371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).