1-(5-chlorothiophen-2-yl)-2-cyclopropyl-2-ethoxyethanamine

C11H16ClNOS — CID 116723193

IUPAC1-(5-chlorothiophen-2-yl)-2-cyclopropyl-2-ethoxyethanamine
SMILESCCOC(C1CC1)C(N)c1ccc(Cl)s1
InChIInChI=1S/C11H16ClNOS/c1-2-14-11(7-3-4-7)10(13)8-5-6-9(12)15-8/h5-7,10-11H,2-4,13H2,1H3
InChIKeySNMSMIIXFBOHNN-UHFFFAOYSA-N
MW245.78 g/mol
LogP3.22
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)-2-cyclopropyl-2-ethoxyethanamine

1-(5-chlorothiophen-2-yl)-2-cyclopropyl-2-ethoxyethanamine (PubChem CID 116723193) has the molecular formula C11H16ClNOS and a molecular weight of 245.78 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-cyclopropyl-2-ethoxyethanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-cyclopropyl-2-ethoxyethanamine
PubChem CID116723193
Molecular FormulaC11H16ClNOS
Molecular Weight245.78 g/mol
Exact Mass245.06
IUPAC Name1-(5-chlorothiophen-2-yl)-2-cyclopropyl-2-ethoxyethanamine
SMILESCCOC(C1CC1)C(N)c1ccc(Cl)s1
InChIInChI=1S/C11H16ClNOS/c1-2-14-11(7-3-4-7)10(13)8-5-6-9(12)15-8/h5-7,10-11H,2-4,13H2,1H3
InChIKeySNMSMIIXFBOHNN-UHFFFAOYSA-N
XLogP3.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.78
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-ethoxy-1-(5-methylthiophen-2-yl)ethanamine
CID 116723225
1-(5-chlorothiophen-2-yl)-2-cyclohexyl-2-ethoxy-N-methylethanamine
CID 116772291
1-(5-chlorothiophen-2-yl)-2-methylbutan-1-amine
CID 43114556
2-cyclopropyl-2-ethoxy-1-(furan-2-yl)ethanamine
CID 116723060
1-(3-chlorothiophen-2-yl)-2-cyclohexyl-2-ethoxyethanamine
CID 107360324
1-(5-chlorothiophen-2-yl)-2-methoxypentan-1-amine
CID 116718662
ethyl 2-(5-chlorothiophen-2-yl)-2-ethoxyacetate
CID 150301919
1-(5-chlorothiophen-2-yl)-2-cyclobutylethanamine
CID 115863512
2-cyclopropyl-1-(3,4-dimethoxyphenyl)-2-ethoxyethanamine
CID 116723089
(1R)-1-(5-chlorothiophen-2-yl)propan-1-amine;hydrochloride
CID 171200569
2-cyclopropyl-2-ethoxy-1-(2-ethylpyrazol-3-yl)ethanamine
CID 116723121
2-(5-chlorothiophen-2-yl)-2-cyclopropylethanol
CID 82076672

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-cyclopropyl-2-ethoxyethanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-cyclopropyl-2-ethoxyethanamine (CID 116723193) is 1-(5-chlorothiophen-2-yl)-2-cyclopropyl-2-ethoxyethanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-cyclopropyl-2-ethoxyethanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-cyclopropyl-2-ethoxyethanamine is CCOC(C1CC1)C(N)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-cyclopropyl-2-ethoxyethanamine?
The InChIKey is SNMSMIIXFBOHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNOS/c1-2-14-11(7-3-4-7)10(13)8-5-6-9(12)15-8/h5-7,10-11H,2-4,13H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-cyclopropyl-2-ethoxyethanamine?
1-(5-chlorothiophen-2-yl)-2-cyclopropyl-2-ethoxyethanamine has a molecular weight of 245.78 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-cyclopropyl-2-ethoxyethanamine is sourced from PubChem (CID 116723193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).