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

C14H20ClNS — CID 107360185

IUPAC1-(3-chlorothiophen-2-yl)-2-(cyclohexen-1-yl)-N-ethylethanamine
SMILESCCNC(CC1=CCCCC1)c1sccc1Cl
InChIInChI=1S/C14H20ClNS/c1-2-16-13(14-12(15)8-9-17-14)10-11-6-4-3-5-7-11/h6,8-9,13,16H,2-5,7,10H2,1H3
InChIKeyVIGXZJOAIYLVPM-UHFFFAOYSA-N
MW269.84 g/mol
LogP4.94
Rot. Bonds5

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

1-(3-chlorothiophen-2-yl)-2-(cyclohexen-1-yl)-N-ethylethanamine (PubChem CID 107360185) has the molecular formula C14H20ClNS and a molecular weight of 269.84 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-2-(cyclohexen-1-yl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-2-(cyclohexen-1-yl)-N-ethylethanamine
PubChem CID107360185
Molecular FormulaC14H20ClNS
Molecular Weight269.84 g/mol
Exact Mass269.10
IUPAC Name1-(3-chlorothiophen-2-yl)-2-(cyclohexen-1-yl)-N-ethylethanamine
SMILESCCNC(CC1=CCCCC1)c1sccc1Cl
InChIInChI=1S/C14H20ClNS/c1-2-16-13(14-12(15)8-9-17-14)10-11-6-4-3-5-7-11/h6,8-9,13,16H,2-5,7,10H2,1H3
InChIKeyVIGXZJOAIYLVPM-UHFFFAOYSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.84
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(cyclohexen-1-yl)-1-(2,5-dichlorophenyl)-N-ethylethanamine
CID 116661737
2-(2-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine
CID 80529053
1-(3-chlorothiophen-2-yl)-N-ethyl-2-ethylsulfanylethanamine
CID 107359766
1-(3-chlorothiophen-2-yl)-2-cyclopentyl-N-ethylethanamine
CID 80528924
1-(3-chlorothiophen-2-yl)-2-cyclopropyl-N-ethylethanamine
CID 80529187
2-(5-bromothiophen-2-yl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine
CID 115841258
N-[2-(cyclohexen-1-yl)-1-(2-methylthiophen-3-yl)ethyl]propan-1-amine
CID 102833821
1-(3-chlorothiophen-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 107359774
2-(cyclohexen-1-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine
CID 116661833
2-(3-chloro-2-fluorophenyl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine
CID 102866395
1-(3-chlorothiophen-2-yl)-N-ethyl-3-methoxypropan-1-amine
CID 107359701
1-(3-chlorothiophen-2-yl)-N-ethylundecan-1-amine
CID 115846003

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-2-(cyclohexen-1-yl)-N-ethylethanamine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-2-(cyclohexen-1-yl)-N-ethylethanamine (CID 107360185) is 1-(3-chlorothiophen-2-yl)-2-(cyclohexen-1-yl)-N-ethylethanamine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-2-(cyclohexen-1-yl)-N-ethylethanamine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-2-(cyclohexen-1-yl)-N-ethylethanamine is CCNC(CC1=CCCCC1)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-2-(cyclohexen-1-yl)-N-ethylethanamine?
The InChIKey is VIGXZJOAIYLVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNS/c1-2-16-13(14-12(15)8-9-17-14)10-11-6-4-3-5-7-11/h6,8-9,13,16H,2-5,7,10H2,1H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-2-(cyclohexen-1-yl)-N-ethylethanamine?
1-(3-chlorothiophen-2-yl)-2-(cyclohexen-1-yl)-N-ethylethanamine has a molecular weight of 269.84 g/mol, XLogP of 4.94, 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-(cyclohexen-1-yl)-N-ethylethanamine is sourced from PubChem (CID 107360185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).