1-(3-chlorothiophen-2-yl)-2-cyclopropyl-N-ethylethanamine

C11H16ClNS — CID 80529187

IUPAC1-(3-chlorothiophen-2-yl)-2-cyclopropyl-N-ethylethanamine
SMILESCCNC(CC1CC1)c1sccc1Cl
InChIInChI=1S/C11H16ClNS/c1-2-13-10(7-8-3-4-8)11-9(12)5-6-14-11/h5-6,8,10,13H,2-4,7H2,1H3
InChIKeyUMACQNVBBWULPZ-UHFFFAOYSA-N
MW229.78 g/mol
LogP3.85
Rot. Bonds5

About 1-(3-chlorothiophen-2-yl)-2-cyclopropyl-N-ethylethanamine

1-(3-chlorothiophen-2-yl)-2-cyclopropyl-N-ethylethanamine (PubChem CID 80529187) has the molecular formula C11H16ClNS and a molecular weight of 229.78 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-2-cyclopropyl-N-ethylethanamine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-2-cyclopropyl-N-ethylethanamine
PubChem CID80529187
Molecular FormulaC11H16ClNS
Molecular Weight229.78 g/mol
Exact Mass229.07
IUPAC Name1-(3-chlorothiophen-2-yl)-2-cyclopropyl-N-ethylethanamine
SMILESCCNC(CC1CC1)c1sccc1Cl
InChIInChI=1S/C11H16ClNS/c1-2-13-10(7-8-3-4-8)11-9(12)5-6-14-11/h5-6,8,10,13H,2-4,7H2,1H3
InChIKeyUMACQNVBBWULPZ-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorothiophen-2-yl)-2-cyclopentyl-N-ethylethanamine
CID 80528924
1-(3-chlorothiophen-2-yl)-N-ethyl-2-(thian-4-yl)ethanamine
CID 107361859
1-(3-chloro-4-methylthiophen-2-yl)-2-cyclopropyl-N-ethylethanamine
CID 103406220
2-cyclobutyl-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine
CID 115863425
N-[1-(3-chlorothiophen-2-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 107360148
N-[1-(3-chlorothiophen-2-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine
CID 103163244
1-(3-chlorothiophen-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 107359774
1-(3-chlorothiophen-2-yl)-N-ethyl-2-ethylsulfanylethanamine
CID 107359766
1-(3-chlorothiophen-2-yl)-4-ethoxy-N-ethylbutan-1-amine
CID 107361923
1-(3-chlorothiophen-2-yl)-N-ethyl-3-methoxypropan-1-amine
CID 107359701
1-(3-chlorothiophen-2-yl)-N-ethylundecan-1-amine
CID 115846003
[(3-chlorothiophen-2-yl)-(4-ethylcyclohexyl)methyl]hydrazine
CID 105313020

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-2-cyclopropyl-N-ethylethanamine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-2-cyclopropyl-N-ethylethanamine (CID 80529187) is 1-(3-chlorothiophen-2-yl)-2-cyclopropyl-N-ethylethanamine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-2-cyclopropyl-N-ethylethanamine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-2-cyclopropyl-N-ethylethanamine is CCNC(CC1CC1)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-2-cyclopropyl-N-ethylethanamine?
The InChIKey is UMACQNVBBWULPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNS/c1-2-13-10(7-8-3-4-8)11-9(12)5-6-14-11/h5-6,8,10,13H,2-4,7H2,1H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-2-cyclopropyl-N-ethylethanamine?
1-(3-chlorothiophen-2-yl)-2-cyclopropyl-N-ethylethanamine has a molecular weight of 229.78 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-2-cyclopropyl-N-ethylethanamine is sourced from PubChem (CID 80529187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).