5-(4-fluorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine

C17H18FN — CID 60793660

IUPAC5-(4-fluorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
SMILESNC1(c2ccc(F)cc2)CCCCc2ccccc21
InChIInChI=1S/C17H18FN/c18-15-10-8-14(9-11-15)17(19)12-4-3-6-13-5-1-2-7-16(13)17/h1-2,5,7-11H,3-4,6,12,19H2
InChIKeyPZYUTAQLZAWLHN-UHFFFAOYSA-N
MW255.34 g/mol
LogP3.75
Rot. Bonds1

About 5-(4-fluorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine

5-(4-fluorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine (PubChem CID 60793660) has the molecular formula C17H18FN and a molecular weight of 255.34 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
PubChem CID60793660
Molecular FormulaC17H18FN
Molecular Weight255.34 g/mol
Exact Mass255.14
IUPAC Name5-(4-fluorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
SMILESNC1(c2ccc(F)cc2)CCCCc2ccccc21
InChIInChI=1S/C17H18FN/c18-15-10-8-14(9-11-15)17(19)12-4-3-6-13-5-1-2-7-16(13)17/h1-2,5,7-11H,3-4,6,12,19H2
InChIKeyPZYUTAQLZAWLHN-UHFFFAOYSA-N
XLogP3.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine?
The IUPAC name of 5-(4-fluorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine (CID 60793660) is 5-(4-fluorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine?
The canonical SMILES for 5-(4-fluorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine is NC1(c2ccc(F)cc2)CCCCc2ccccc21.
What is the InChIKey of 5-(4-fluorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine?
The InChIKey is PZYUTAQLZAWLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN/c18-15-10-8-14(9-11-15)17(19)12-4-3-6-13-5-1-2-7-16(13)17/h1-2,5,7-11H,3-4,6,12,19H2.
What are the key properties of 5-(4-fluorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine?
5-(4-fluorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine has a molecular weight of 255.34 g/mol, XLogP of 3.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine is sourced from PubChem (CID 60793660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).