4-fluoro-N-(2-phenylethyl)-2,3-dihydro-1H-inden-1-amine

C17H18FN — CID 79483582

IUPAC4-fluoro-N-(2-phenylethyl)-2,3-dihydro-1H-inden-1-amine
SMILESFc1cccc2c1CCC2NCCc1ccccc1
InChIInChI=1S/C17H18FN/c18-16-8-4-7-15-14(16)9-10-17(15)19-12-11-13-5-2-1-3-6-13/h1-8,17,19H,9-12H2
InChIKeyILZXUSAQHJQDSP-UHFFFAOYSA-N
MW255.34 g/mol
LogP3.65
Rot. Bonds4

About 4-fluoro-N-(2-phenylethyl)-2,3-dihydro-1H-inden-1-amine

4-fluoro-N-(2-phenylethyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 79483582) has the molecular formula C17H18FN and a molecular weight of 255.34 g/mol. Its IUPAC name is 4-fluoro-N-(2-phenylethyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-fluoro-N-(2-phenylethyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID79483582
Molecular FormulaC17H18FN
Molecular Weight255.34 g/mol
Exact Mass255.14
IUPAC Name4-fluoro-N-(2-phenylethyl)-2,3-dihydro-1H-inden-1-amine
SMILESFc1cccc2c1CCC2NCCc1ccccc1
InChIInChI=1S/C17H18FN/c18-16-8-4-7-15-14(16)9-10-17(15)19-12-11-13-5-2-1-3-6-13/h1-8,17,19H,9-12H2
InChIKeyILZXUSAQHJQDSP-UHFFFAOYSA-N
XLogP3.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-phenylethyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-fluoro-N-(2-phenylethyl)-2,3-dihydro-1H-inden-1-amine (CID 79483582) is 4-fluoro-N-(2-phenylethyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-fluoro-N-(2-phenylethyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-fluoro-N-(2-phenylethyl)-2,3-dihydro-1H-inden-1-amine is Fc1cccc2c1CCC2NCCc1ccccc1.
What is the InChIKey of 4-fluoro-N-(2-phenylethyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is ILZXUSAQHJQDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN/c18-16-8-4-7-15-14(16)9-10-17(15)19-12-11-13-5-2-1-3-6-13/h1-8,17,19H,9-12H2.
What are the key properties of 4-fluoro-N-(2-phenylethyl)-2,3-dihydro-1H-inden-1-amine?
4-fluoro-N-(2-phenylethyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 255.34 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-phenylethyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 79483582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).