4-chloro-N-(thiophen-3-ylmethyl)aniline

C11H10ClNS — CID 3162059

IUPAC4-chloro-N-(thiophen-3-ylmethyl)aniline
SMILESClc1ccc(NCc2ccsc2)cc1
InChIInChI=1S/C11H10ClNS/c12-10-1-3-11(4-2-10)13-7-9-5-6-14-8-9/h1-6,8,13H,7H2
InChIKeySATIMQUVKUHHRT-UHFFFAOYSA-N
MW223.73 g/mol
LogP4.01
Rot. Bonds3

About 4-chloro-N-(thiophen-3-ylmethyl)aniline

4-chloro-N-(thiophen-3-ylmethyl)aniline (PubChem CID 3162059) has the molecular formula C11H10ClNS and a molecular weight of 223.73 g/mol. Its IUPAC name is 4-chloro-N-(thiophen-3-ylmethyl)aniline.

Molecular Properties

Compound Name4-chloro-N-(thiophen-3-ylmethyl)aniline
PubChem CID3162059
Molecular FormulaC11H10ClNS
Molecular Weight223.73 g/mol
Exact Mass223.02
IUPAC Name4-chloro-N-(thiophen-3-ylmethyl)aniline
SMILESClc1ccc(NCc2ccsc2)cc1
InChIInChI=1S/C11H10ClNS/c12-10-1-3-11(4-2-10)13-7-9-5-6-14-8-9/h1-6,8,13H,7H2
InChIKeySATIMQUVKUHHRT-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.73
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(thiophen-3-ylmethyl)aniline?
The IUPAC name of 4-chloro-N-(thiophen-3-ylmethyl)aniline (CID 3162059) is 4-chloro-N-(thiophen-3-ylmethyl)aniline.
What is the SMILES notation for 4-chloro-N-(thiophen-3-ylmethyl)aniline?
The canonical SMILES for 4-chloro-N-(thiophen-3-ylmethyl)aniline is Clc1ccc(NCc2ccsc2)cc1.
What is the InChIKey of 4-chloro-N-(thiophen-3-ylmethyl)aniline?
The InChIKey is SATIMQUVKUHHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNS/c12-10-1-3-11(4-2-10)13-7-9-5-6-14-8-9/h1-6,8,13H,7H2.
What are the key properties of 4-chloro-N-(thiophen-3-ylmethyl)aniline?
4-chloro-N-(thiophen-3-ylmethyl)aniline has a molecular weight of 223.73 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(thiophen-3-ylmethyl)aniline is sourced from PubChem (CID 3162059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).