3-(4-chlorothiophen-2-yl)-2-methyl-N-propylprop-2-en-1-amine

C11H16ClNS — CID 79426916

IUPAC3-(4-chlorothiophen-2-yl)-2-methyl-N-propylprop-2-en-1-amine
SMILESCCCNCC(C)=Cc1cc(Cl)cs1
InChIInChI=1S/C11H16ClNS/c1-3-4-13-7-9(2)5-11-6-10(12)8-14-11/h5-6,8,13H,3-4,7H2,1-2H3
InChIKeyLRIYMMGABSQNQS-UHFFFAOYSA-N
MW229.78 g/mol
LogP3.80
Rot. Bonds5

About 3-(4-chlorothiophen-2-yl)-2-methyl-N-propylprop-2-en-1-amine

3-(4-chlorothiophen-2-yl)-2-methyl-N-propylprop-2-en-1-amine (PubChem CID 79426916) has the molecular formula C11H16ClNS and a molecular weight of 229.78 g/mol. Its IUPAC name is 3-(4-chlorothiophen-2-yl)-2-methyl-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name3-(4-chlorothiophen-2-yl)-2-methyl-N-propylprop-2-en-1-amine
PubChem CID79426916
Molecular FormulaC11H16ClNS
Molecular Weight229.78 g/mol
Exact Mass229.07
IUPAC Name3-(4-chlorothiophen-2-yl)-2-methyl-N-propylprop-2-en-1-amine
SMILESCCCNCC(C)=Cc1cc(Cl)cs1
InChIInChI=1S/C11H16ClNS/c1-3-4-13-7-9(2)5-11-6-10(12)8-14-11/h5-6,8,13H,3-4,7H2,1-2H3
InChIKeyLRIYMMGABSQNQS-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.78
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorothiophen-2-yl)-2-methylprop-2-en-1-amine
CID 79427240
3-(4-bromo-5-chlorothiophen-2-yl)-2-methyl-N-propylprop-2-en-1-amine
CID 102845636
3-(4-chlorothiophen-2-yl)-N-propylprop-2-en-1-amine
CID 79426477
4-chloro-2-[2-(chloromethyl)but-1-enyl]thiophene
CID 79426803
2-methyl-3-(3-methylthiophen-2-yl)-N-propylprop-2-en-1-amine
CID 79340295
(E)-3-(3-bromothiophen-2-yl)-2-methyl-N-propylprop-2-en-1-amine
CID 115381593
3-(3,5-dimethoxyphenyl)-2-methyl-N-propylprop-2-en-1-amine
CID 79340398
3-(4-chloro-3-nitrophenyl)-2-methyl-N-propylprop-2-en-1-amine
CID 79340914
2-methyl-N-propyl-3-(1-propylpyrazol-4-yl)prop-2-en-1-amine
CID 103573610
3-(4-bromo-3-methylphenyl)-2-methyl-N-propylprop-2-en-1-amine
CID 79341442
N-ethyl-2-methyl-3-thiophen-2-ylprop-2-en-1-amine
CID 79341006
3-(3,5-dichlorophenyl)-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine
CID 79337172

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorothiophen-2-yl)-2-methyl-N-propylprop-2-en-1-amine?
The IUPAC name of 3-(4-chlorothiophen-2-yl)-2-methyl-N-propylprop-2-en-1-amine (CID 79426916) is 3-(4-chlorothiophen-2-yl)-2-methyl-N-propylprop-2-en-1-amine.
What is the SMILES notation for 3-(4-chlorothiophen-2-yl)-2-methyl-N-propylprop-2-en-1-amine?
The canonical SMILES for 3-(4-chlorothiophen-2-yl)-2-methyl-N-propylprop-2-en-1-amine is CCCNCC(C)=Cc1cc(Cl)cs1.
What is the InChIKey of 3-(4-chlorothiophen-2-yl)-2-methyl-N-propylprop-2-en-1-amine?
The InChIKey is LRIYMMGABSQNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNS/c1-3-4-13-7-9(2)5-11-6-10(12)8-14-11/h5-6,8,13H,3-4,7H2,1-2H3.
What are the key properties of 3-(4-chlorothiophen-2-yl)-2-methyl-N-propylprop-2-en-1-amine?
3-(4-chlorothiophen-2-yl)-2-methyl-N-propylprop-2-en-1-amine has a molecular weight of 229.78 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorothiophen-2-yl)-2-methyl-N-propylprop-2-en-1-amine is sourced from PubChem (CID 79426916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).