1-(1-benzothiophen-3-yl)-2-(2-chlorophenyl)-N-ethylethanamine

C18H18ClNS — CID 43492316

IUPAC1-(1-benzothiophen-3-yl)-2-(2-chlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccccc1Cl)c1csc2ccccc12
InChIInChI=1S/C18H18ClNS/c1-2-20-17(11-13-7-3-5-9-16(13)19)15-12-21-18-10-6-4-8-14(15)18/h3-10,12,17,20H,2,11H2,1H3
InChIKeyZRMOZOGKGBTFHL-UHFFFAOYSA-N
MW315.87 g/mol
LogP5.45
Rot. Bonds5

About 1-(1-benzothiophen-3-yl)-2-(2-chlorophenyl)-N-ethylethanamine

1-(1-benzothiophen-3-yl)-2-(2-chlorophenyl)-N-ethylethanamine (PubChem CID 43492316) has the molecular formula C18H18ClNS and a molecular weight of 315.87 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-2-(2-chlorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-2-(2-chlorophenyl)-N-ethylethanamine
PubChem CID43492316
Molecular FormulaC18H18ClNS
Molecular Weight315.87 g/mol
Exact Mass315.08
IUPAC Name1-(1-benzothiophen-3-yl)-2-(2-chlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccccc1Cl)c1csc2ccccc12
InChIInChI=1S/C18H18ClNS/c1-2-20-17(11-13-7-3-5-9-16(13)19)15-12-21-18-10-6-4-8-14(15)18/h3-10,12,17,20H,2,11H2,1H3
InChIKeyZRMOZOGKGBTFHL-UHFFFAOYSA-N
XLogP5.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.87
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzothiophen-3-yl)-N-ethylbutan-1-amine
CID 43492291
2-(2-chlorophenyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine
CID 63415143
N-[1-benzothiophen-3-yl-(2,6-dichlorophenyl)methyl]ethanamine
CID 43492363
2-(1-benzothiophen-3-yl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine
CID 103405423
2-(2-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine
CID 80529053
1-(1-benzothiophen-3-yl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104997202
1-(1-benzothiophen-3-yl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 115830435
1-(1-benzothiophen-3-yl)-2-(3-chloro-4-pyridinyl)-N-methylethanamine
CID 115984876
2-(1-benzothiophen-3-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 104790256
1-(1-benzothiophen-3-yl)-N,3-diethylheptan-1-amine
CID 115806692
1-(1-benzothiophen-3-yl)-N-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997921
1-(1-benzothiophen-3-yl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107065274

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-2-(2-chlorophenyl)-N-ethylethanamine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-2-(2-chlorophenyl)-N-ethylethanamine (CID 43492316) is 1-(1-benzothiophen-3-yl)-2-(2-chlorophenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-2-(2-chlorophenyl)-N-ethylethanamine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-2-(2-chlorophenyl)-N-ethylethanamine is CCNC(Cc1ccccc1Cl)c1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-2-(2-chlorophenyl)-N-ethylethanamine?
The InChIKey is ZRMOZOGKGBTFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNS/c1-2-20-17(11-13-7-3-5-9-16(13)19)15-12-21-18-10-6-4-8-14(15)18/h3-10,12,17,20H,2,11H2,1H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-2-(2-chlorophenyl)-N-ethylethanamine?
1-(1-benzothiophen-3-yl)-2-(2-chlorophenyl)-N-ethylethanamine has a molecular weight of 315.87 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-2-(2-chlorophenyl)-N-ethylethanamine is sourced from PubChem (CID 43492316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).