3-(5-chlorothiophen-3-yl)-2-methylpropan-1-amine

C8H12ClNS — CID 126998640

IUPAC3-(5-chlorothiophen-3-yl)-2-methylpropan-1-amine
SMILESCC(CN)Cc1csc(Cl)c1
InChIInChI=1S/C8H12ClNS/c1-6(4-10)2-7-3-8(9)11-5-7/h3,5-6H,2,4,10H2,1H3
InChIKeyDAPDOHQHIFFOOQ-UHFFFAOYSA-N
MW189.71 g/mol
LogP2.54
Rot. Bonds3

About 3-(5-chlorothiophen-3-yl)-2-methylpropan-1-amine

3-(5-chlorothiophen-3-yl)-2-methylpropan-1-amine (PubChem CID 126998640) has the molecular formula C8H12ClNS and a molecular weight of 189.71 g/mol. Its IUPAC name is 3-(5-chlorothiophen-3-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(5-chlorothiophen-3-yl)-2-methylpropan-1-amine
PubChem CID126998640
Molecular FormulaC8H12ClNS
Molecular Weight189.71 g/mol
Exact Mass189.04
IUPAC Name3-(5-chlorothiophen-3-yl)-2-methylpropan-1-amine
SMILESCC(CN)Cc1csc(Cl)c1
InChIInChI=1S/C8H12ClNS/c1-6(4-10)2-7-3-8(9)11-5-7/h3,5-6H,2,4,10H2,1H3
InChIKeyDAPDOHQHIFFOOQ-UHFFFAOYSA-N
XLogP2.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.71
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-3-yl)-2-methylpropan-1-amine?
The IUPAC name of 3-(5-chlorothiophen-3-yl)-2-methylpropan-1-amine (CID 126998640) is 3-(5-chlorothiophen-3-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(5-chlorothiophen-3-yl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(5-chlorothiophen-3-yl)-2-methylpropan-1-amine is CC(CN)Cc1csc(Cl)c1.
What is the InChIKey of 3-(5-chlorothiophen-3-yl)-2-methylpropan-1-amine?
The InChIKey is DAPDOHQHIFFOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNS/c1-6(4-10)2-7-3-8(9)11-5-7/h3,5-6H,2,4,10H2,1H3.
What are the key properties of 3-(5-chlorothiophen-3-yl)-2-methylpropan-1-amine?
3-(5-chlorothiophen-3-yl)-2-methylpropan-1-amine has a molecular weight of 189.71 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-3-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 126998640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).