1-(1-benzothiophen-2-yl)-N-[2-(4-chlorophenyl)ethyl]ethanamine

C18H18ClNS — CID 114909642

IUPAC1-(1-benzothiophen-2-yl)-N-[2-(4-chlorophenyl)ethyl]ethanamine
SMILESCC(NCCc1ccc(Cl)cc1)c1cc2ccccc2s1
InChIInChI=1S/C18H18ClNS/c1-13(18-12-15-4-2-3-5-17(15)21-18)20-11-10-14-6-8-16(19)9-7-14/h2-9,12-13,20H,10-11H2,1H3
InChIKeyFNEWLHCXUTZDFK-UHFFFAOYSA-N
MW315.87 g/mol
LogP5.45
Rot. Bonds5

About 1-(1-benzothiophen-2-yl)-N-[2-(4-chlorophenyl)ethyl]ethanamine

1-(1-benzothiophen-2-yl)-N-[2-(4-chlorophenyl)ethyl]ethanamine (PubChem CID 114909642) has the molecular formula C18H18ClNS and a molecular weight of 315.87 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-N-[2-(4-chlorophenyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-N-[2-(4-chlorophenyl)ethyl]ethanamine
PubChem CID114909642
Molecular FormulaC18H18ClNS
Molecular Weight315.87 g/mol
Exact Mass315.08
IUPAC Name1-(1-benzothiophen-2-yl)-N-[2-(4-chlorophenyl)ethyl]ethanamine
SMILESCC(NCCc1ccc(Cl)cc1)c1cc2ccccc2s1
InChIInChI=1S/C18H18ClNS/c1-13(18-12-15-4-2-3-5-17(15)21-18)20-11-10-14-6-8-16(19)9-7-14/h2-9,12-13,20H,10-11H2,1H3
InChIKeyFNEWLHCXUTZDFK-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-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 114909896
1-(1-benzothiophen-2-yl)-N-(2-methoxyethyl)ethanamine
CID 114983148
5-[1-(1-benzothiophen-2-yl)ethylamino]pentan-1-ol
CID 104579334
N-[1-(1-benzothiophen-2-yl)ethyl]prop-2-en-1-amine
CID 104579324
N-[1-(1-benzothiophen-2-yl)ethyl]-2,4-dichloroaniline
CID 114909583
3-[2-[1-(1-benzothiophen-2-yl)ethylamino]ethyl]-1,1-dimethylurea
CID 114910040
1-(1-benzothiophen-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
CID 114909795
1-(1-benzothiophen-2-yl)-N-[(3-methylphenyl)methyl]ethanamine
CID 115617548
N-[2-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 43100538
1-(1-benzothiophen-2-yl)-N-[(2-ethylphenyl)methyl]ethanamine
CID 114909932
N-[1-(1-benzothiophen-2-yl)ethyl]butan-2-amine
CID 115718240
N-[1-(1-benzothiophen-2-yl)ethyl]-3-chloro-4-methylaniline
CID 114909572

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-N-[2-(4-chlorophenyl)ethyl]ethanamine?
The IUPAC name of 1-(1-benzothiophen-2-yl)-N-[2-(4-chlorophenyl)ethyl]ethanamine (CID 114909642) is 1-(1-benzothiophen-2-yl)-N-[2-(4-chlorophenyl)ethyl]ethanamine.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-N-[2-(4-chlorophenyl)ethyl]ethanamine?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-N-[2-(4-chlorophenyl)ethyl]ethanamine is CC(NCCc1ccc(Cl)cc1)c1cc2ccccc2s1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-N-[2-(4-chlorophenyl)ethyl]ethanamine?
The InChIKey is FNEWLHCXUTZDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNS/c1-13(18-12-15-4-2-3-5-17(15)21-18)20-11-10-14-6-8-16(19)9-7-14/h2-9,12-13,20H,10-11H2,1H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-N-[2-(4-chlorophenyl)ethyl]ethanamine?
1-(1-benzothiophen-2-yl)-N-[2-(4-chlorophenyl)ethyl]ethanamine 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-2-yl)-N-[2-(4-chlorophenyl)ethyl]ethanamine is sourced from PubChem (CID 114909642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).