1-(3-chloro-4-methylthiophen-2-yl)-N-methylprop-2-en-1-amine

C9H12ClNS — CID 103406500

IUPAC1-(3-chloro-4-methylthiophen-2-yl)-N-methylprop-2-en-1-amine
SMILESC=CC(NC)c1scc(C)c1Cl
InChIInChI=1S/C9H12ClNS/c1-4-7(11-3)9-8(10)6(2)5-12-9/h4-5,7,11H,1H2,2-3H3
InChIKeyKEJOXMFMAWBLKL-UHFFFAOYSA-N
MW201.72 g/mol
LogP3.16
Rot. Bonds3

About 1-(3-chloro-4-methylthiophen-2-yl)-N-methylprop-2-en-1-amine

1-(3-chloro-4-methylthiophen-2-yl)-N-methylprop-2-en-1-amine (PubChem CID 103406500) has the molecular formula C9H12ClNS and a molecular weight of 201.72 g/mol. Its IUPAC name is 1-(3-chloro-4-methylthiophen-2-yl)-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(3-chloro-4-methylthiophen-2-yl)-N-methylprop-2-en-1-amine
PubChem CID103406500
Molecular FormulaC9H12ClNS
Molecular Weight201.72 g/mol
Exact Mass201.04
IUPAC Name1-(3-chloro-4-methylthiophen-2-yl)-N-methylprop-2-en-1-amine
SMILESC=CC(NC)c1scc(C)c1Cl
InChIInChI=1S/C9H12ClNS/c1-4-7(11-3)9-8(10)6(2)5-12-9/h4-5,7,11H,1H2,2-3H3
InChIKeyKEJOXMFMAWBLKL-UHFFFAOYSA-N
XLogP3.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.72
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorothiophen-2-yl)-N-methylprop-2-en-1-amine
CID 105000642
3-chloro-4-methyl-2-propan-2-ylthiophene
CID 58718163
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
CID 103400697
1-(3-chloro-4-methylthiophen-2-yl)-2-ethyl-N-methylbutan-1-amine
CID 103406780
1-(3-chloro-4-methylthiophen-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 103405261
1-(3-chloro-4-methylthiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine
CID 103405291
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine
CID 103406327
1-(3-chloro-4-methylthiophen-2-yl)-3-methylbut-3-en-1-ol
CID 103408113
(1S)-2-amino-1-(3-chloro-4-methylthiophen-2-yl)ethanol
CID 69219309
1-(3-chloro-4-methylthiophen-2-yl)-2-methylprop-2-en-1-ol
CID 103408117
1-(3-chloro-4-methylthiophen-2-yl)-3-methylbutan-1-ol
CID 103407802
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(3-methylphenyl)methanamine
CID 103405206

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-N-methylprop-2-en-1-amine?
The IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-N-methylprop-2-en-1-amine (CID 103406500) is 1-(3-chloro-4-methylthiophen-2-yl)-N-methylprop-2-en-1-amine.
What is the SMILES notation for 1-(3-chloro-4-methylthiophen-2-yl)-N-methylprop-2-en-1-amine?
The canonical SMILES for 1-(3-chloro-4-methylthiophen-2-yl)-N-methylprop-2-en-1-amine is C=CC(NC)c1scc(C)c1Cl.
What is the InChIKey of 1-(3-chloro-4-methylthiophen-2-yl)-N-methylprop-2-en-1-amine?
The InChIKey is KEJOXMFMAWBLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNS/c1-4-7(11-3)9-8(10)6(2)5-12-9/h4-5,7,11H,1H2,2-3H3.
What are the key properties of 1-(3-chloro-4-methylthiophen-2-yl)-N-methylprop-2-en-1-amine?
1-(3-chloro-4-methylthiophen-2-yl)-N-methylprop-2-en-1-amine has a molecular weight of 201.72 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylthiophen-2-yl)-N-methylprop-2-en-1-amine is sourced from PubChem (CID 103406500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).