5-(4-fluorophenyl)-1-thiophen-3-ylpentane-2,3-diamine

C15H19FN2S — CID 142832111

IUPAC5-(4-fluorophenyl)-1-thiophen-3-ylpentane-2,3-diamine
SMILESNC(CCc1ccc(F)cc1)C(N)Cc1ccsc1
InChIInChI=1S/C15H19FN2S/c16-13-4-1-11(2-5-13)3-6-14(17)15(18)9-12-7-8-19-10-12/h1-2,4-5,7-8,10,14-15H,3,6,9,17-18H2
InChIKeyTXOXPXHQEFJMBI-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.72
Rot. Bonds6

About 5-(4-fluorophenyl)-1-thiophen-3-ylpentane-2,3-diamine

5-(4-fluorophenyl)-1-thiophen-3-ylpentane-2,3-diamine (PubChem CID 142832111) has the molecular formula C15H19FN2S and a molecular weight of 278.40 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1-thiophen-3-ylpentane-2,3-diamine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1-thiophen-3-ylpentane-2,3-diamine
PubChem CID142832111
Molecular FormulaC15H19FN2S
Molecular Weight278.40 g/mol
Exact Mass278.13
IUPAC Name5-(4-fluorophenyl)-1-thiophen-3-ylpentane-2,3-diamine
SMILESNC(CCc1ccc(F)cc1)C(N)Cc1ccsc1
InChIInChI=1S/C15H19FN2S/c16-13-4-1-11(2-5-13)3-6-14(17)15(18)9-12-7-8-19-10-12/h1-2,4-5,7-8,10,14-15H,3,6,9,17-18H2
InChIKeyTXOXPXHQEFJMBI-UHFFFAOYSA-N
XLogP2.72
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-1-thiophen-3-ylpentane-2,3-diamine?
The IUPAC name of 5-(4-fluorophenyl)-1-thiophen-3-ylpentane-2,3-diamine (CID 142832111) is 5-(4-fluorophenyl)-1-thiophen-3-ylpentane-2,3-diamine.
What is the SMILES notation for 5-(4-fluorophenyl)-1-thiophen-3-ylpentane-2,3-diamine?
The canonical SMILES for 5-(4-fluorophenyl)-1-thiophen-3-ylpentane-2,3-diamine is NC(CCc1ccc(F)cc1)C(N)Cc1ccsc1.
What is the InChIKey of 5-(4-fluorophenyl)-1-thiophen-3-ylpentane-2,3-diamine?
The InChIKey is TXOXPXHQEFJMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2S/c16-13-4-1-11(2-5-13)3-6-14(17)15(18)9-12-7-8-19-10-12/h1-2,4-5,7-8,10,14-15H,3,6,9,17-18H2.
What are the key properties of 5-(4-fluorophenyl)-1-thiophen-3-ylpentane-2,3-diamine?
5-(4-fluorophenyl)-1-thiophen-3-ylpentane-2,3-diamine has a molecular weight of 278.40 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-1-thiophen-3-ylpentane-2,3-diamine is sourced from PubChem (CID 142832111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).