1-(cyclohepten-1-yl)-2-(2-fluorophenyl)-N-methylethanamine

C16H22FN — CID 62078209

IUPAC1-(cyclohepten-1-yl)-2-(2-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccccc1F)C1=CCCCCC1
InChIInChI=1S/C16H22FN/c1-18-16(13-8-4-2-3-5-9-13)12-14-10-6-7-11-15(14)17/h6-8,10-11,16,18H,2-5,9,12H2,1H3
InChIKeyZDGQZQDJKQCKAE-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.85
Rot. Bonds4

About 1-(cyclohepten-1-yl)-2-(2-fluorophenyl)-N-methylethanamine

1-(cyclohepten-1-yl)-2-(2-fluorophenyl)-N-methylethanamine (PubChem CID 62078209) has the molecular formula C16H22FN and a molecular weight of 247.36 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-2-(2-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-2-(2-fluorophenyl)-N-methylethanamine
PubChem CID62078209
Molecular FormulaC16H22FN
Molecular Weight247.36 g/mol
Exact Mass247.17
IUPAC Name1-(cyclohepten-1-yl)-2-(2-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccccc1F)C1=CCCCCC1
InChIInChI=1S/C16H22FN/c1-18-16(13-8-4-2-3-5-9-13)12-14-10-6-7-11-15(14)17/h6-8,10-11,16,18H,2-5,9,12H2,1H3
InChIKeyZDGQZQDJKQCKAE-UHFFFAOYSA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.85
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)-2-(2-fluorophenyl)-N-methylethanamine
CID 62078161
[1-(cyclohexen-1-yl)-2-(2-fluorophenyl)ethyl]hydrazine
CID 106648715
1-(cyclohexen-1-yl)-2-(4-fluorophenyl)-N-methylethanamine
CID 62079036
1-[(1E)-cycloocten-1-yl]-N-methyl-2-(3-methylphenyl)ethanamine
CID 106652697
1-(cyclopenten-1-yl)-2-(2-fluorophenyl)ethanamine
CID 62078868
1-[(1E)-cycloocten-1-yl]-N-methyl-2-phenylsulfanylethanamine
CID 106653191
1-(cyclohepten-1-yl)-N-methyl-2-pyridin-4-ylethanamine
CID 106652784
1-(cyclohepten-1-yl)-1-(2,6-difluorophenyl)-N-methylmethanamine
CID 55034371
1-[(1E)-cycloocten-1-yl]-2-(4-methoxyphenyl)-N-methylethanamine
CID 106652629
1-(2,3-dihydrofuran-5-yl)-2-(2-fluorophenyl)-N-methylethanamine
CID 102651363
1-(cyclohexen-1-yl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 62079589
1-[(1E)-cycloocten-1-yl]-2-(2,3-difluorophenyl)ethanol
CID 106657648

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-2-(2-fluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(cyclohepten-1-yl)-2-(2-fluorophenyl)-N-methylethanamine (CID 62078209) is 1-(cyclohepten-1-yl)-2-(2-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(cyclohepten-1-yl)-2-(2-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(cyclohepten-1-yl)-2-(2-fluorophenyl)-N-methylethanamine is CNC(Cc1ccccc1F)C1=CCCCCC1.
What is the InChIKey of 1-(cyclohepten-1-yl)-2-(2-fluorophenyl)-N-methylethanamine?
The InChIKey is ZDGQZQDJKQCKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN/c1-18-16(13-8-4-2-3-5-9-13)12-14-10-6-7-11-15(14)17/h6-8,10-11,16,18H,2-5,9,12H2,1H3.
What are the key properties of 1-(cyclohepten-1-yl)-2-(2-fluorophenyl)-N-methylethanamine?
1-(cyclohepten-1-yl)-2-(2-fluorophenyl)-N-methylethanamine has a molecular weight of 247.36 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohepten-1-yl)-2-(2-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 62078209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).