4-(2-aminoethyl)-2-(furan-2-yl)-N-(2-thiophen-3-ylethyl)aniline

C18H20N2OS — CID 167246079

IUPAC4-(2-aminoethyl)-2-(furan-2-yl)-N-(2-thiophen-3-ylethyl)aniline
SMILESNCCc1ccc(NCCc2ccsc2)c(-c2ccco2)c1
InChIInChI=1S/C18H20N2OS/c19-8-5-14-3-4-17(16(12-14)18-2-1-10-21-18)20-9-6-15-7-11-22-13-15/h1-4,7,10-13,20H,5-6,8-9,19H2
InChIKeyFRCXDVOYNVLBMX-UHFFFAOYSA-N
MW312.44 g/mol
LogP4.16
Rot. Bonds7

About 4-(2-aminoethyl)-2-(furan-2-yl)-N-(2-thiophen-3-ylethyl)aniline

4-(2-aminoethyl)-2-(furan-2-yl)-N-(2-thiophen-3-ylethyl)aniline (PubChem CID 167246079) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-(2-aminoethyl)-2-(furan-2-yl)-N-(2-thiophen-3-ylethyl)aniline.

Molecular Properties

Compound Name4-(2-aminoethyl)-2-(furan-2-yl)-N-(2-thiophen-3-ylethyl)aniline
PubChem CID167246079
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC Name4-(2-aminoethyl)-2-(furan-2-yl)-N-(2-thiophen-3-ylethyl)aniline
SMILESNCCc1ccc(NCCc2ccsc2)c(-c2ccco2)c1
InChIInChI=1S/C18H20N2OS/c19-8-5-14-3-4-17(16(12-14)18-2-1-10-21-18)20-9-6-15-7-11-22-13-15/h1-4,7,10-13,20H,5-6,8-9,19H2
InChIKeyFRCXDVOYNVLBMX-UHFFFAOYSA-N
XLogP4.16
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-2-(furan-2-yl)-N-(2-thiophen-3-ylethyl)aniline?
The IUPAC name of 4-(2-aminoethyl)-2-(furan-2-yl)-N-(2-thiophen-3-ylethyl)aniline (CID 167246079) is 4-(2-aminoethyl)-2-(furan-2-yl)-N-(2-thiophen-3-ylethyl)aniline.
What is the SMILES notation for 4-(2-aminoethyl)-2-(furan-2-yl)-N-(2-thiophen-3-ylethyl)aniline?
The canonical SMILES for 4-(2-aminoethyl)-2-(furan-2-yl)-N-(2-thiophen-3-ylethyl)aniline is NCCc1ccc(NCCc2ccsc2)c(-c2ccco2)c1.
What is the InChIKey of 4-(2-aminoethyl)-2-(furan-2-yl)-N-(2-thiophen-3-ylethyl)aniline?
The InChIKey is FRCXDVOYNVLBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2OS/c19-8-5-14-3-4-17(16(12-14)18-2-1-10-21-18)20-9-6-15-7-11-22-13-15/h1-4,7,10-13,20H,5-6,8-9,19H2.
What are the key properties of 4-(2-aminoethyl)-2-(furan-2-yl)-N-(2-thiophen-3-ylethyl)aniline?
4-(2-aminoethyl)-2-(furan-2-yl)-N-(2-thiophen-3-ylethyl)aniline has a molecular weight of 312.44 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-2-(furan-2-yl)-N-(2-thiophen-3-ylethyl)aniline is sourced from PubChem (CID 167246079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).