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

C15H13ClN2S — CID 112655446

IUPAC1-(1-benzothiophen-2-yl)-2-(3-chloro-4-pyridinyl)ethanamine
SMILESNC(Cc1ccncc1Cl)c1cc2ccccc2s1
InChIInChI=1S/C15H13ClN2S/c16-12-9-18-6-5-10(12)7-13(17)15-8-11-3-1-2-4-14(11)19-15/h1-6,8-9,13H,7,17H2
InChIKeyYZQKMBNVCXXZBW-UHFFFAOYSA-N
MW288.80 g/mol
LogP4.19
Rot. Bonds3

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

1-(1-benzothiophen-2-yl)-2-(3-chloro-4-pyridinyl)ethanamine (PubChem CID 112655446) has the molecular formula C15H13ClN2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-2-(3-chloro-4-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-2-(3-chloro-4-pyridinyl)ethanamine
PubChem CID112655446
Molecular FormulaC15H13ClN2S
Molecular Weight288.80 g/mol
Exact Mass288.05
IUPAC Name1-(1-benzothiophen-2-yl)-2-(3-chloro-4-pyridinyl)ethanamine
SMILESNC(Cc1ccncc1Cl)c1cc2ccccc2s1
InChIInChI=1S/C15H13ClN2S/c16-12-9-18-6-5-10(12)7-13(17)15-8-11-3-1-2-4-14(11)19-15/h1-6,8-9,13H,7,17H2
InChIKeyYZQKMBNVCXXZBW-UHFFFAOYSA-N
XLogP4.19
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(1-benzothiophen-2-yl)-2-bromoethyl]-3-chloropyridine
CID 112656160
2-(3-chloro-4-pyridinyl)-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 112655417
1-(1-benzothiophen-2-yl)-2-(5-bromo-3-pyridinyl)ethanamine
CID 105036767
1-(1-benzothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105030509
1-(1-benzothiophen-2-yl)-2-(3-chloro-4-fluorophenyl)ethanamine
CID 103043364
2-[1-chloro-2-(2-chlorophenyl)ethyl]-1-benzothiophene
CID 63519147
1-(1-benzothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 115844225
1-(1-benzothiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethanamine
CID 66447688
2-(3-chloro-4-pyridinyl)-1-(3-iodophenyl)ethanamine
CID 112655522
2-(3-chloro-4-pyridinyl)-1-quinolin-4-ylethanamine
CID 105157445
1-(1-benzothiophen-2-yl)-3-methylbutan-1-amine
CID 115782410
2-(2-chlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 80745793

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-2-(3-chloro-4-pyridinyl)ethanamine?
The IUPAC name of 1-(1-benzothiophen-2-yl)-2-(3-chloro-4-pyridinyl)ethanamine (CID 112655446) is 1-(1-benzothiophen-2-yl)-2-(3-chloro-4-pyridinyl)ethanamine.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-2-(3-chloro-4-pyridinyl)ethanamine?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-2-(3-chloro-4-pyridinyl)ethanamine is NC(Cc1ccncc1Cl)c1cc2ccccc2s1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-2-(3-chloro-4-pyridinyl)ethanamine?
The InChIKey is YZQKMBNVCXXZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2S/c16-12-9-18-6-5-10(12)7-13(17)15-8-11-3-1-2-4-14(11)19-15/h1-6,8-9,13H,7,17H2.
What are the key properties of 1-(1-benzothiophen-2-yl)-2-(3-chloro-4-pyridinyl)ethanamine?
1-(1-benzothiophen-2-yl)-2-(3-chloro-4-pyridinyl)ethanamine has a molecular weight of 288.80 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-2-(3-chloro-4-pyridinyl)ethanamine is sourced from PubChem (CID 112655446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).