8-fluoro-2-phenyl-1,3,4,5-tetrahydrobenzo[cd]indol-5-amine

C17H15FN2 — CID 19348211

IUPAC8-fluoro-2-phenyl-1,3,4,5-tetrahydrobenzo[cd]indol-5-amine
SMILESNC1CCc2c(-c3ccccc3)[nH]c3c(F)ccc1c23
InChIInChI=1S/C17H15FN2/c18-13-8-6-11-14(19)9-7-12-15(11)17(13)20-16(12)10-4-2-1-3-5-10/h1-6,8,14,20H,7,9,19H2
InChIKeyLCYDLPYXJJXMQG-UHFFFAOYSA-N
MW266.32 g/mol
LogP3.92
Rot. Bonds1

About 8-fluoro-2-phenyl-1,3,4,5-tetrahydrobenzo[cd]indol-5-amine

8-fluoro-2-phenyl-1,3,4,5-tetrahydrobenzo[cd]indol-5-amine (PubChem CID 19348211) has the molecular formula C17H15FN2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 8-fluoro-2-phenyl-1,3,4,5-tetrahydrobenzo[cd]indol-5-amine.

Molecular Properties

Compound Name8-fluoro-2-phenyl-1,3,4,5-tetrahydrobenzo[cd]indol-5-amine
PubChem CID19348211
Molecular FormulaC17H15FN2
Molecular Weight266.32 g/mol
Exact Mass266.12
IUPAC Name8-fluoro-2-phenyl-1,3,4,5-tetrahydrobenzo[cd]indol-5-amine
SMILESNC1CCc2c(-c3ccccc3)[nH]c3c(F)ccc1c23
InChIInChI=1S/C17H15FN2/c18-13-8-6-11-14(19)9-7-12-15(11)17(13)20-16(12)10-4-2-1-3-5-10/h1-6,8,14,20H,7,9,19H2
InChIKeyLCYDLPYXJJXMQG-UHFFFAOYSA-N
XLogP3.92
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-phenyl-1,3,4,5-tetrahydrobenzo[cd]indol-5-amine?
The IUPAC name of 8-fluoro-2-phenyl-1,3,4,5-tetrahydrobenzo[cd]indol-5-amine (CID 19348211) is 8-fluoro-2-phenyl-1,3,4,5-tetrahydrobenzo[cd]indol-5-amine.
What is the SMILES notation for 8-fluoro-2-phenyl-1,3,4,5-tetrahydrobenzo[cd]indol-5-amine?
The canonical SMILES for 8-fluoro-2-phenyl-1,3,4,5-tetrahydrobenzo[cd]indol-5-amine is NC1CCc2c(-c3ccccc3)[nH]c3c(F)ccc1c23.
What is the InChIKey of 8-fluoro-2-phenyl-1,3,4,5-tetrahydrobenzo[cd]indol-5-amine?
The InChIKey is LCYDLPYXJJXMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2/c18-13-8-6-11-14(19)9-7-12-15(11)17(13)20-16(12)10-4-2-1-3-5-10/h1-6,8,14,20H,7,9,19H2.
What are the key properties of 8-fluoro-2-phenyl-1,3,4,5-tetrahydrobenzo[cd]indol-5-amine?
8-fluoro-2-phenyl-1,3,4,5-tetrahydrobenzo[cd]indol-5-amine has a molecular weight of 266.32 g/mol, XLogP of 3.92, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-phenyl-1,3,4,5-tetrahydrobenzo[cd]indol-5-amine is sourced from PubChem (CID 19348211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).