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

C16H19FN2 — CID 83207848

IUPAC2-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
SMILESNC1CCCCc2cn(Cc3ccccc3F)cc21
InChIInChI=1S/C16H19FN2/c17-15-7-3-1-6-13(15)10-19-9-12-5-2-4-8-16(18)14(12)11-19/h1,3,6-7,9,11,16H,2,4-5,8,10,18H2
InChIKeyPSJAKDMVTLMVIJ-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.40
Rot. Bonds2

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

2-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine (PubChem CID 83207848) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
PubChem CID83207848
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name2-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
SMILESNC1CCCCc2cn(Cc3ccccc3F)cc21
InChIInChI=1S/C16H19FN2/c17-15-7-3-1-6-13(15)10-19-9-12-5-2-4-8-16(18)14(12)11-19/h1,3,6-7,9,11,16H,2,4-5,8,10,18H2
InChIKeyPSJAKDMVTLMVIJ-UHFFFAOYSA-N
XLogP3.40
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.40
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]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine (CID 83207848) is 2-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine is NC1CCCCc2cn(Cc3ccccc3F)cc21.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
The InChIKey is PSJAKDMVTLMVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c17-15-7-3-1-6-13(15)10-19-9-12-5-2-4-8-16(18)14(12)11-19/h1,3,6-7,9,11,16H,2,4-5,8,10,18H2.
What are the key properties of 2-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
2-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine has a molecular weight of 258.34 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine is sourced from PubChem (CID 83207848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).