4-(5-butylthiophen-2-yl)-2-chloroaniline

C14H16ClNS — CID 134858287

IUPAC4-(5-butylthiophen-2-yl)-2-chloroaniline
SMILESCCCCc1ccc(-c2ccc(N)c(Cl)c2)s1
InChIInChI=1S/C14H16ClNS/c1-2-3-4-11-6-8-14(17-11)10-5-7-13(16)12(15)9-10/h5-9H,2-4,16H2,1H3
InChIKeyVGNMRCUUZMOZOD-UHFFFAOYSA-N
MW265.81 g/mol
LogP4.99
Rot. Bonds4

About 4-(5-butylthiophen-2-yl)-2-chloroaniline

4-(5-butylthiophen-2-yl)-2-chloroaniline (PubChem CID 134858287) has the molecular formula C14H16ClNS and a molecular weight of 265.81 g/mol. Its IUPAC name is 4-(5-butylthiophen-2-yl)-2-chloroaniline.

Molecular Properties

Compound Name4-(5-butylthiophen-2-yl)-2-chloroaniline
PubChem CID134858287
Molecular FormulaC14H16ClNS
Molecular Weight265.81 g/mol
Exact Mass265.07
IUPAC Name4-(5-butylthiophen-2-yl)-2-chloroaniline
SMILESCCCCc1ccc(-c2ccc(N)c(Cl)c2)s1
InChIInChI=1S/C14H16ClNS/c1-2-3-4-11-6-8-14(17-11)10-5-7-13(16)12(15)9-10/h5-9H,2-4,16H2,1H3
InChIKeyVGNMRCUUZMOZOD-UHFFFAOYSA-N
XLogP4.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.81
LogP ≤ 54.99
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 4-(5-butylthiophen-2-yl)-2-chloroaniline?
The IUPAC name of 4-(5-butylthiophen-2-yl)-2-chloroaniline (CID 134858287) is 4-(5-butylthiophen-2-yl)-2-chloroaniline.
What is the SMILES notation for 4-(5-butylthiophen-2-yl)-2-chloroaniline?
The canonical SMILES for 4-(5-butylthiophen-2-yl)-2-chloroaniline is CCCCc1ccc(-c2ccc(N)c(Cl)c2)s1.
What is the InChIKey of 4-(5-butylthiophen-2-yl)-2-chloroaniline?
The InChIKey is VGNMRCUUZMOZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNS/c1-2-3-4-11-6-8-14(17-11)10-5-7-13(16)12(15)9-10/h5-9H,2-4,16H2,1H3.
What are the key properties of 4-(5-butylthiophen-2-yl)-2-chloroaniline?
4-(5-butylthiophen-2-yl)-2-chloroaniline has a molecular weight of 265.81 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-butylthiophen-2-yl)-2-chloroaniline is sourced from PubChem (CID 134858287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).