2-[(2-fluorophenyl)methyl]-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine

C17H21FN2 — CID 83207970

IUPAC2-[(2-fluorophenyl)methyl]-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
SMILESCNC1CCCCc2cn(Cc3ccccc3F)cc21
InChIInChI=1S/C17H21FN2/c1-19-17-9-5-3-6-13-10-20(12-15(13)17)11-14-7-2-4-8-16(14)18/h2,4,7-8,10,12,17,19H,3,5-6,9,11H2,1H3
InChIKeyPWIFEJYGBNPNRH-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.66
Rot. Bonds3

About 2-[(2-fluorophenyl)methyl]-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine

2-[(2-fluorophenyl)methyl]-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine (PubChem CID 83207970) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
PubChem CID83207970
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC Name2-[(2-fluorophenyl)methyl]-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
SMILESCNC1CCCCc2cn(Cc3ccccc3F)cc21
InChIInChI=1S/C17H21FN2/c1-19-17-9-5-3-6-13-10-20(12-15(13)17)11-14-7-2-4-8-16(14)18/h2,4,7-8,10,12,17,19H,3,5-6,9,11H2,1H3
InChIKeyPWIFEJYGBNPNRH-UHFFFAOYSA-N
XLogP3.66
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine (CID 83207970) is 2-[(2-fluorophenyl)methyl]-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine is CNC1CCCCc2cn(Cc3ccccc3F)cc21.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
The InChIKey is PWIFEJYGBNPNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-19-17-9-5-3-6-13-10-20(12-15(13)17)11-14-7-2-4-8-16(14)18/h2,4,7-8,10,12,17,19H,3,5-6,9,11H2,1H3.
What are the key properties of 2-[(2-fluorophenyl)methyl]-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
2-[(2-fluorophenyl)methyl]-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine has a molecular weight of 272.37 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine is sourced from PubChem (CID 83207970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).