2-(5-chlorothiophen-2-yl)-1-(2,2-dimethylcyclopropyl)-N-ethylethanamine

C13H20ClNS — CID 107004297

IUPAC2-(5-chlorothiophen-2-yl)-1-(2,2-dimethylcyclopropyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Cl)s1)C1CC1(C)C
InChIInChI=1S/C13H20ClNS/c1-4-15-11(10-8-13(10,2)3)7-9-5-6-12(14)16-9/h5-6,10-11,15H,4,7-8H2,1-3H3
InChIKeyPSAMNSBIDAALRM-UHFFFAOYSA-N
MW257.83 g/mol
LogP3.97
Rot. Bonds5

About 2-(5-chlorothiophen-2-yl)-1-(2,2-dimethylcyclopropyl)-N-ethylethanamine

2-(5-chlorothiophen-2-yl)-1-(2,2-dimethylcyclopropyl)-N-ethylethanamine (PubChem CID 107004297) has the molecular formula C13H20ClNS and a molecular weight of 257.83 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-1-(2,2-dimethylcyclopropyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-1-(2,2-dimethylcyclopropyl)-N-ethylethanamine
PubChem CID107004297
Molecular FormulaC13H20ClNS
Molecular Weight257.83 g/mol
Exact Mass257.10
IUPAC Name2-(5-chlorothiophen-2-yl)-1-(2,2-dimethylcyclopropyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Cl)s1)C1CC1(C)C
InChIInChI=1S/C13H20ClNS/c1-4-15-11(10-8-13(10,2)3)7-9-5-6-12(14)16-9/h5-6,10-11,15H,4,7-8H2,1-3H3
InChIKeyPSAMNSBIDAALRM-UHFFFAOYSA-N
XLogP3.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.83
LogP ≤ 53.97
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
1-(1-adamantyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 63419605
3-(5-chlorothiophen-2-yl)-1-cyclopropyl-N-ethylpropan-1-amine
CID 63355483
2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-phenylcyclopropyl)ethanamine
CID 115841868
2-(5-chlorothiophen-2-yl)-1-(2,2-dimethylcyclopentyl)-N-methylethanamine
CID 107188272
1-(5-chlorothiophen-2-yl)-3-cycloheptyl-N-ethylpropan-2-amine
CID 115841681
1-(5-chlorothiophen-2-yl)-N-ethyl-4-methylpentan-2-amine
CID 62600562
3-(5-chlorothiophen-2-yl)-N-ethyl-1,1,1-trifluoropropan-2-amine
CID 115841552
2-(5-chlorothiophen-2-yl)-1-(1-ethoxycyclohexyl)-N-ethylethanamine
CID 116764052
1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine
CID 103168454
1-[2-(5-chlorothiophen-2-yl)-1-(ethylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 79070614

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(2,2-dimethylcyclopropyl)-N-ethylethanamine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(2,2-dimethylcyclopropyl)-N-ethylethanamine (CID 107004297) is 2-(5-chlorothiophen-2-yl)-1-(2,2-dimethylcyclopropyl)-N-ethylethanamine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-1-(2,2-dimethylcyclopropyl)-N-ethylethanamine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-1-(2,2-dimethylcyclopropyl)-N-ethylethanamine is CCNC(Cc1ccc(Cl)s1)C1CC1(C)C.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-1-(2,2-dimethylcyclopropyl)-N-ethylethanamine?
The InChIKey is PSAMNSBIDAALRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNS/c1-4-15-11(10-8-13(10,2)3)7-9-5-6-12(14)16-9/h5-6,10-11,15H,4,7-8H2,1-3H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-1-(2,2-dimethylcyclopropyl)-N-ethylethanamine?
2-(5-chlorothiophen-2-yl)-1-(2,2-dimethylcyclopropyl)-N-ethylethanamine has a molecular weight of 257.83 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-1-(2,2-dimethylcyclopropyl)-N-ethylethanamine is sourced from PubChem (CID 107004297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).