1-(1-benzothiophen-2-yl)-2-(3-chloro-4-fluorophenyl)ethanamine

C16H13ClFNS — CID 103043364

IUPAC1-(1-benzothiophen-2-yl)-2-(3-chloro-4-fluorophenyl)ethanamine
SMILESNC(Cc1ccc(F)c(Cl)c1)c1cc2ccccc2s1
InChIInChI=1S/C16H13ClFNS/c17-12-7-10(5-6-13(12)18)8-14(19)16-9-11-3-1-2-4-15(11)20-16/h1-7,9,14H,8,19H2
InChIKeyMGSSEQOVHGJPOS-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.94
Rot. Bonds3

About 1-(1-benzothiophen-2-yl)-2-(3-chloro-4-fluorophenyl)ethanamine

1-(1-benzothiophen-2-yl)-2-(3-chloro-4-fluorophenyl)ethanamine (PubChem CID 103043364) has the molecular formula C16H13ClFNS and a molecular weight of 305.81 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-2-(3-chloro-4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-2-(3-chloro-4-fluorophenyl)ethanamine
PubChem CID103043364
Molecular FormulaC16H13ClFNS
Molecular Weight305.81 g/mol
Exact Mass305.04
IUPAC Name1-(1-benzothiophen-2-yl)-2-(3-chloro-4-fluorophenyl)ethanamine
SMILESNC(Cc1ccc(F)c(Cl)c1)c1cc2ccccc2s1
InChIInChI=1S/C16H13ClFNS/c17-12-7-10(5-6-13(12)18)8-14(19)16-9-11-3-1-2-4-15(11)20-16/h1-7,9,14H,8,19H2
InChIKeyMGSSEQOVHGJPOS-UHFFFAOYSA-N
XLogP4.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-fluorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanamine
CID 103043126
2-(3,4-dichlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanamine
CID 105136466
1-(1-benzothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 115844225
2-(3-chloro-4-fluorophenyl)-1-phenylethanamine
CID 81144923
1-(1-benzothiophen-2-yl)-2-(3-chloro-4-pyridinyl)ethanamine
CID 112655446
1-(1-benzothiophen-2-yl)-2-(5-bromo-3-pyridinyl)ethanamine
CID 105036767
1-(1-benzothiophen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanamine
CID 115822474
1-benzothiophen-2-yl-(2,5-dichlorophenyl)methanamine
CID 61406696
[1-(1-benzothiophen-2-yl)-2-(5-chloro-2-fluorophenyl)ethyl]hydrazine
CID 103053796
1-(7-bromo-1-benzofuran-2-yl)-2-(3-chloro-4-fluorophenyl)ethanamine
CID 103043411
2-(3-chloro-4-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995842
1-(3-chloro-4-fluorophenyl)propan-2-amine
CID 55254568

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-2-(3-chloro-4-fluorophenyl)ethanamine?
The IUPAC name of 1-(1-benzothiophen-2-yl)-2-(3-chloro-4-fluorophenyl)ethanamine (CID 103043364) is 1-(1-benzothiophen-2-yl)-2-(3-chloro-4-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-2-(3-chloro-4-fluorophenyl)ethanamine?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-2-(3-chloro-4-fluorophenyl)ethanamine is NC(Cc1ccc(F)c(Cl)c1)c1cc2ccccc2s1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-2-(3-chloro-4-fluorophenyl)ethanamine?
The InChIKey is MGSSEQOVHGJPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNS/c17-12-7-10(5-6-13(12)18)8-14(19)16-9-11-3-1-2-4-15(11)20-16/h1-7,9,14H,8,19H2.
What are the key properties of 1-(1-benzothiophen-2-yl)-2-(3-chloro-4-fluorophenyl)ethanamine?
1-(1-benzothiophen-2-yl)-2-(3-chloro-4-fluorophenyl)ethanamine has a molecular weight of 305.81 g/mol, XLogP of 4.94, 3 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)-2-(3-chloro-4-fluorophenyl)ethanamine is sourced from PubChem (CID 103043364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).