N-(3-phenylpropyl)-2-thiophen-2-ylaniline

C19H19NS — CID 43724448

IUPACN-(3-phenylpropyl)-2-thiophen-2-ylaniline
SMILESc1ccc(CCCNc2ccccc2-c2cccs2)cc1
InChIInChI=1S/C19H19NS/c1-2-8-16(9-3-1)10-6-14-20-18-12-5-4-11-17(18)19-13-7-15-21-19/h1-5,7-9,11-13,15,20H,6,10,14H2
InChIKeyYJDPCHMKATTYGC-UHFFFAOYSA-N
MW293.44 g/mol
LogP5.46
Rot. Bonds6

About N-(3-phenylpropyl)-2-thiophen-2-ylaniline

N-(3-phenylpropyl)-2-thiophen-2-ylaniline (PubChem CID 43724448) has the molecular formula C19H19NS and a molecular weight of 293.44 g/mol. Its IUPAC name is N-(3-phenylpropyl)-2-thiophen-2-ylaniline.

Molecular Properties

Compound NameN-(3-phenylpropyl)-2-thiophen-2-ylaniline
PubChem CID43724448
Molecular FormulaC19H19NS
Molecular Weight293.44 g/mol
Exact Mass293.12
IUPAC NameN-(3-phenylpropyl)-2-thiophen-2-ylaniline
SMILESc1ccc(CCCNc2ccccc2-c2cccs2)cc1
InChIInChI=1S/C19H19NS/c1-2-8-16(9-3-1)10-6-14-20-18-12-5-4-11-17(18)19-13-7-15-21-19/h1-5,7-9,11-13,15,20H,6,10,14H2
InChIKeyYJDPCHMKATTYGC-UHFFFAOYSA-N
XLogP5.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.44
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-2-thiophen-2-ylaniline?
The IUPAC name of N-(3-phenylpropyl)-2-thiophen-2-ylaniline (CID 43724448) is N-(3-phenylpropyl)-2-thiophen-2-ylaniline.
What is the SMILES notation for N-(3-phenylpropyl)-2-thiophen-2-ylaniline?
The canonical SMILES for N-(3-phenylpropyl)-2-thiophen-2-ylaniline is c1ccc(CCCNc2ccccc2-c2cccs2)cc1.
What is the InChIKey of N-(3-phenylpropyl)-2-thiophen-2-ylaniline?
The InChIKey is YJDPCHMKATTYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NS/c1-2-8-16(9-3-1)10-6-14-20-18-12-5-4-11-17(18)19-13-7-15-21-19/h1-5,7-9,11-13,15,20H,6,10,14H2.
What are the key properties of N-(3-phenylpropyl)-2-thiophen-2-ylaniline?
N-(3-phenylpropyl)-2-thiophen-2-ylaniline has a molecular weight of 293.44 g/mol, XLogP of 5.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-2-thiophen-2-ylaniline is sourced from PubChem (CID 43724448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).