2-(4-chlorothiophen-2-yl)ethanamine

C6H8ClNS — CID 59819997

IUPAC2-(4-chlorothiophen-2-yl)ethanamine
SMILESNCCc1cc(Cl)cs1
InChIInChI=1S/C6H8ClNS/c7-5-3-6(1-2-8)9-4-5/h3-4H,1-2,8H2
InChIKeyNBBDGOLNUQVLOO-UHFFFAOYSA-N
MW161.66 g/mol
LogP1.90
Rot. Bonds2

About 2-(4-chlorothiophen-2-yl)ethanamine

2-(4-chlorothiophen-2-yl)ethanamine (PubChem CID 59819997) has the molecular formula C6H8ClNS and a molecular weight of 161.66 g/mol. Its IUPAC name is 2-(4-chlorothiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chlorothiophen-2-yl)ethanamine
PubChem CID59819997
Molecular FormulaC6H8ClNS
Molecular Weight161.66 g/mol
Exact Mass161.01
IUPAC Name2-(4-chlorothiophen-2-yl)ethanamine
SMILESNCCc1cc(Cl)cs1
InChIInChI=1S/C6H8ClNS/c7-5-3-6(1-2-8)9-4-5/h3-4H,1-2,8H2
InChIKeyNBBDGOLNUQVLOO-UHFFFAOYSA-N
XLogP1.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.66
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorothiophen-2-yl)ethanamine?
The IUPAC name of 2-(4-chlorothiophen-2-yl)ethanamine (CID 59819997) is 2-(4-chlorothiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(4-chlorothiophen-2-yl)ethanamine?
The canonical SMILES for 2-(4-chlorothiophen-2-yl)ethanamine is NCCc1cc(Cl)cs1.
What is the InChIKey of 2-(4-chlorothiophen-2-yl)ethanamine?
The InChIKey is NBBDGOLNUQVLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNS/c7-5-3-6(1-2-8)9-4-5/h3-4H,1-2,8H2.
What are the key properties of 2-(4-chlorothiophen-2-yl)ethanamine?
2-(4-chlorothiophen-2-yl)ethanamine has a molecular weight of 161.66 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorothiophen-2-yl)ethanamine is sourced from PubChem (CID 59819997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).