1-(3-chloro-4-methylthiophen-2-yl)-2-cyclopropyl-N-ethylethanamine

C12H18ClNS — CID 103406220

IUPAC1-(3-chloro-4-methylthiophen-2-yl)-2-cyclopropyl-N-ethylethanamine
SMILESCCNC(CC1CC1)c1scc(C)c1Cl
InChIInChI=1S/C12H18ClNS/c1-3-14-10(6-9-4-5-9)12-11(13)8(2)7-15-12/h7,9-10,14H,3-6H2,1-2H3
InChIKeyVGDNGVDHGQTQBW-UHFFFAOYSA-N
MW243.80 g/mol
LogP4.16
Rot. Bonds5

About 1-(3-chloro-4-methylthiophen-2-yl)-2-cyclopropyl-N-ethylethanamine

1-(3-chloro-4-methylthiophen-2-yl)-2-cyclopropyl-N-ethylethanamine (PubChem CID 103406220) has the molecular formula C12H18ClNS and a molecular weight of 243.80 g/mol. Its IUPAC name is 1-(3-chloro-4-methylthiophen-2-yl)-2-cyclopropyl-N-ethylethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-methylthiophen-2-yl)-2-cyclopropyl-N-ethylethanamine
PubChem CID103406220
Molecular FormulaC12H18ClNS
Molecular Weight243.80 g/mol
Exact Mass243.08
IUPAC Name1-(3-chloro-4-methylthiophen-2-yl)-2-cyclopropyl-N-ethylethanamine
SMILESCCNC(CC1CC1)c1scc(C)c1Cl
InChIInChI=1S/C12H18ClNS/c1-3-14-10(6-9-4-5-9)12-11(13)8(2)7-15-12/h7,9-10,14H,3-6H2,1-2H3
InChIKeyVGDNGVDHGQTQBW-UHFFFAOYSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.80
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-chloro-4-methylthiophen-2-yl)-2-cyclopropyl-N-ethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chlorothiophen-2-yl)-2-cyclopropyl-N-ethylethanamine
CID 80529187
[1-(3-chloro-4-methylthiophen-2-yl)-2-(oxan-4-yl)ethyl]hydrazine
CID 103408526
1-(3-chlorothiophen-2-yl)-2-cyclopentyl-N-ethylethanamine
CID 80528924
N-[(3-chloro-4-methylthiophen-2-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 103406324
1-(3-chloro-4-methylthiophen-2-yl)-2-cyclopentylethanol
CID 103407933
2-cyclobutyl-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine
CID 115863425
1-(3-chlorothiophen-2-yl)-N-ethyl-2-(thian-4-yl)ethanamine
CID 107361859
2-(1-benzothiophen-3-yl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine
CID 103405423
1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-2-methylprop-2-en-1-amine
CID 103406586
2-(1,3-benzothiazol-2-yl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine
CID 103402602
2-(3-bromo-5-fluorophenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine
CID 103406816
1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-2-methylpentan-1-amine
CID 107893654

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-2-cyclopropyl-N-ethylethanamine?
The IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-2-cyclopropyl-N-ethylethanamine (CID 103406220) is 1-(3-chloro-4-methylthiophen-2-yl)-2-cyclopropyl-N-ethylethanamine.
What is the SMILES notation for 1-(3-chloro-4-methylthiophen-2-yl)-2-cyclopropyl-N-ethylethanamine?
The canonical SMILES for 1-(3-chloro-4-methylthiophen-2-yl)-2-cyclopropyl-N-ethylethanamine is CCNC(CC1CC1)c1scc(C)c1Cl.
What is the InChIKey of 1-(3-chloro-4-methylthiophen-2-yl)-2-cyclopropyl-N-ethylethanamine?
The InChIKey is VGDNGVDHGQTQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNS/c1-3-14-10(6-9-4-5-9)12-11(13)8(2)7-15-12/h7,9-10,14H,3-6H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methylthiophen-2-yl)-2-cyclopropyl-N-ethylethanamine?
1-(3-chloro-4-methylthiophen-2-yl)-2-cyclopropyl-N-ethylethanamine has a molecular weight of 243.80 g/mol, XLogP of 4.16, 5 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)-2-cyclopropyl-N-ethylethanamine is sourced from PubChem (CID 103406220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).