1-(2-chlorothiophen-3-yl)propan-2-amine

C7H10ClNS — CID 19094023

IUPAC1-(2-chlorothiophen-3-yl)propan-2-amine
SMILESCC(N)Cc1ccsc1Cl
InChIInChI=1S/C7H10ClNS/c1-5(9)4-6-2-3-10-7(6)8/h2-3,5H,4,9H2,1H3
InChIKeyKZEFJVORONXTBE-UHFFFAOYSA-N
MW175.68 g/mol
LogP2.29
Rot. Bonds2

About 1-(2-chlorothiophen-3-yl)propan-2-amine

1-(2-chlorothiophen-3-yl)propan-2-amine (PubChem CID 19094023) has the molecular formula C7H10ClNS and a molecular weight of 175.68 g/mol. Its IUPAC name is 1-(2-chlorothiophen-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2-chlorothiophen-3-yl)propan-2-amine
PubChem CID19094023
Molecular FormulaC7H10ClNS
Molecular Weight175.68 g/mol
Exact Mass175.02
IUPAC Name1-(2-chlorothiophen-3-yl)propan-2-amine
SMILESCC(N)Cc1ccsc1Cl
InChIInChI=1S/C7H10ClNS/c1-5(9)4-6-2-3-10-7(6)8/h2-3,5H,4,9H2,1H3
InChIKeyKZEFJVORONXTBE-UHFFFAOYSA-N
XLogP2.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.68
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorothiophen-3-yl)propan-2-amine?
The IUPAC name of 1-(2-chlorothiophen-3-yl)propan-2-amine (CID 19094023) is 1-(2-chlorothiophen-3-yl)propan-2-amine.
What is the SMILES notation for 1-(2-chlorothiophen-3-yl)propan-2-amine?
The canonical SMILES for 1-(2-chlorothiophen-3-yl)propan-2-amine is CC(N)Cc1ccsc1Cl.
What is the InChIKey of 1-(2-chlorothiophen-3-yl)propan-2-amine?
The InChIKey is KZEFJVORONXTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNS/c1-5(9)4-6-2-3-10-7(6)8/h2-3,5H,4,9H2,1H3.
What are the key properties of 1-(2-chlorothiophen-3-yl)propan-2-amine?
1-(2-chlorothiophen-3-yl)propan-2-amine has a molecular weight of 175.68 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorothiophen-3-yl)propan-2-amine is sourced from PubChem (CID 19094023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).