3-[5-(3-chlorophenyl)thiophen-2-yl]-2-methylprop-2-en-1-amine

C14H14ClNS — CID 79328710

IUPAC3-[5-(3-chlorophenyl)thiophen-2-yl]-2-methylprop-2-en-1-amine
SMILESCC(=Cc1ccc(-c2cccc(Cl)c2)s1)CN
InChIInChI=1S/C14H14ClNS/c1-10(9-16)7-13-5-6-14(17-13)11-3-2-4-12(15)8-11/h2-8H,9,16H2,1H3
InChIKeyGZNAQGNAIUISTJ-UHFFFAOYSA-N
MW263.79 g/mol
LogP4.43
Rot. Bonds3

About 3-[5-(3-chlorophenyl)thiophen-2-yl]-2-methylprop-2-en-1-amine

3-[5-(3-chlorophenyl)thiophen-2-yl]-2-methylprop-2-en-1-amine (PubChem CID 79328710) has the molecular formula C14H14ClNS and a molecular weight of 263.79 g/mol. Its IUPAC name is 3-[5-(3-chlorophenyl)thiophen-2-yl]-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name3-[5-(3-chlorophenyl)thiophen-2-yl]-2-methylprop-2-en-1-amine
PubChem CID79328710
Molecular FormulaC14H14ClNS
Molecular Weight263.79 g/mol
Exact Mass263.05
IUPAC Name3-[5-(3-chlorophenyl)thiophen-2-yl]-2-methylprop-2-en-1-amine
SMILESCC(=Cc1ccc(-c2cccc(Cl)c2)s1)CN
InChIInChI=1S/C14H14ClNS/c1-10(9-16)7-13-5-6-14(17-13)11-3-2-4-12(15)8-11/h2-8H,9,16H2,1H3
InChIKeyGZNAQGNAIUISTJ-UHFFFAOYSA-N
XLogP4.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.79
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-chlorophenyl)thiophen-2-yl]-2-methylprop-2-en-1-amine?
The IUPAC name of 3-[5-(3-chlorophenyl)thiophen-2-yl]-2-methylprop-2-en-1-amine (CID 79328710) is 3-[5-(3-chlorophenyl)thiophen-2-yl]-2-methylprop-2-en-1-amine.
What is the SMILES notation for 3-[5-(3-chlorophenyl)thiophen-2-yl]-2-methylprop-2-en-1-amine?
The canonical SMILES for 3-[5-(3-chlorophenyl)thiophen-2-yl]-2-methylprop-2-en-1-amine is CC(=Cc1ccc(-c2cccc(Cl)c2)s1)CN.
What is the InChIKey of 3-[5-(3-chlorophenyl)thiophen-2-yl]-2-methylprop-2-en-1-amine?
The InChIKey is GZNAQGNAIUISTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNS/c1-10(9-16)7-13-5-6-14(17-13)11-3-2-4-12(15)8-11/h2-8H,9,16H2,1H3.
What are the key properties of 3-[5-(3-chlorophenyl)thiophen-2-yl]-2-methylprop-2-en-1-amine?
3-[5-(3-chlorophenyl)thiophen-2-yl]-2-methylprop-2-en-1-amine has a molecular weight of 263.79 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-chlorophenyl)thiophen-2-yl]-2-methylprop-2-en-1-amine is sourced from PubChem (CID 79328710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).