3-(5-butylthiophen-2-yl)aniline

C14H17NS — CID 102291132

IUPAC3-(5-butylthiophen-2-yl)aniline
SMILESCCCCc1ccc(-c2cccc(N)c2)s1
InChIInChI=1S/C14H17NS/c1-2-3-7-13-8-9-14(16-13)11-5-4-6-12(15)10-11/h4-6,8-10H,2-3,7,15H2,1H3
InChIKeyCDIXLYJULSENRM-UHFFFAOYSA-N
MW231.36 g/mol
LogP4.34
Rot. Bonds4

About 3-(5-butylthiophen-2-yl)aniline

3-(5-butylthiophen-2-yl)aniline (PubChem CID 102291132) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is 3-(5-butylthiophen-2-yl)aniline.

Molecular Properties

Compound Name3-(5-butylthiophen-2-yl)aniline
PubChem CID102291132
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC Name3-(5-butylthiophen-2-yl)aniline
SMILESCCCCc1ccc(-c2cccc(N)c2)s1
InChIInChI=1S/C14H17NS/c1-2-3-7-13-8-9-14(16-13)11-5-4-6-12(15)10-11/h4-6,8-10H,2-3,7,15H2,1H3
InChIKeyCDIXLYJULSENRM-UHFFFAOYSA-N
XLogP4.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-butylthiophen-2-yl)aniline?
The IUPAC name of 3-(5-butylthiophen-2-yl)aniline (CID 102291132) is 3-(5-butylthiophen-2-yl)aniline.
What is the SMILES notation for 3-(5-butylthiophen-2-yl)aniline?
The canonical SMILES for 3-(5-butylthiophen-2-yl)aniline is CCCCc1ccc(-c2cccc(N)c2)s1.
What is the InChIKey of 3-(5-butylthiophen-2-yl)aniline?
The InChIKey is CDIXLYJULSENRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS/c1-2-3-7-13-8-9-14(16-13)11-5-4-6-12(15)10-11/h4-6,8-10H,2-3,7,15H2,1H3.
What are the key properties of 3-(5-butylthiophen-2-yl)aniline?
3-(5-butylthiophen-2-yl)aniline has a molecular weight of 231.36 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-butylthiophen-2-yl)aniline is sourced from PubChem (CID 102291132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).