3-(5-chlorothiophen-2-yl)-1-cyclopropyl-N-ethylpropan-1-amine

C12H18ClNS — CID 63355483

IUPAC3-(5-chlorothiophen-2-yl)-1-cyclopropyl-N-ethylpropan-1-amine
SMILESCCNC(CCc1ccc(Cl)s1)C1CC1
InChIInChI=1S/C12H18ClNS/c1-2-14-11(9-3-4-9)7-5-10-6-8-12(13)15-10/h6,8-9,11,14H,2-5,7H2,1H3
InChIKeyXNYWEEOXWBHUOR-UHFFFAOYSA-N
MW243.80 g/mol
LogP3.72
Rot. Bonds6

About 3-(5-chlorothiophen-2-yl)-1-cyclopropyl-N-ethylpropan-1-amine

3-(5-chlorothiophen-2-yl)-1-cyclopropyl-N-ethylpropan-1-amine (PubChem CID 63355483) has the molecular formula C12H18ClNS and a molecular weight of 243.80 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-1-cyclopropyl-N-ethylpropan-1-amine.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-1-cyclopropyl-N-ethylpropan-1-amine
PubChem CID63355483
Molecular FormulaC12H18ClNS
Molecular Weight243.80 g/mol
Exact Mass243.08
IUPAC Name3-(5-chlorothiophen-2-yl)-1-cyclopropyl-N-ethylpropan-1-amine
SMILESCCNC(CCc1ccc(Cl)s1)C1CC1
InChIInChI=1S/C12H18ClNS/c1-2-14-11(9-3-4-9)7-5-10-6-8-12(13)15-10/h6,8-9,11,14H,2-5,7H2,1H3
InChIKeyXNYWEEOXWBHUOR-UHFFFAOYSA-N
XLogP3.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.80
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chlorothiophen-2-yl)-N-ethyl-1-(4-methylcyclohexyl)ethanamine
CID 55185869
2-(5-chlorothiophen-2-yl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine
CID 105135106
3-(5-chlorothiophen-2-yl)-1-cyclopropylpropan-1-ol
CID 63357723
2-(5-chlorothiophen-2-yl)-1-(2,2-dimethylcyclopropyl)-N-ethylethanamine
CID 107004297
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-cyclopropyl-2-methylpropan-1-amine
CID 115713605
2-(5-chlorothiophen-2-yl)-1-(4-ethylcyclohexyl)-N-methylethanamine
CID 65393739
N-ethyl-2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65423043
2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-phenylcyclopropyl)ethanamine
CID 115841868
2-(5-chlorothiophen-2-yl)-N-methyl-1-(oxan-4-yl)ethanamine
CID 65334443
1-(5-chlorothiophen-2-yl)-3-cycloheptyl-N-ethylpropan-2-amine
CID 115841681
3-(4-chloro-3-fluorophenyl)-1-cyclopropyl-N-ethylpropan-1-amine
CID 107892041
2-chloro-5-(3-chlorohexyl)thiophene
CID 63460183

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-1-cyclopropyl-N-ethylpropan-1-amine?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-1-cyclopropyl-N-ethylpropan-1-amine (CID 63355483) is 3-(5-chlorothiophen-2-yl)-1-cyclopropyl-N-ethylpropan-1-amine.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-1-cyclopropyl-N-ethylpropan-1-amine?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-1-cyclopropyl-N-ethylpropan-1-amine is CCNC(CCc1ccc(Cl)s1)C1CC1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-1-cyclopropyl-N-ethylpropan-1-amine?
The InChIKey is XNYWEEOXWBHUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNS/c1-2-14-11(9-3-4-9)7-5-10-6-8-12(13)15-10/h6,8-9,11,14H,2-5,7H2,1H3.
What are the key properties of 3-(5-chlorothiophen-2-yl)-1-cyclopropyl-N-ethylpropan-1-amine?
3-(5-chlorothiophen-2-yl)-1-cyclopropyl-N-ethylpropan-1-amine has a molecular weight of 243.80 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-1-cyclopropyl-N-ethylpropan-1-amine is sourced from PubChem (CID 63355483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).