N-(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-6-ethoxypyridin-3-amine

C15H17ClN2OS — CID 82690731

IUPACN-(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-6-ethoxypyridin-3-amine
SMILESCCOc1ccc(NC2CCCc3sc(Cl)cc32)cn1
InChIInChI=1S/C15H17ClN2OS/c1-2-19-15-7-6-10(9-17-15)18-12-4-3-5-13-11(12)8-14(16)20-13/h6-9,12,18H,2-5H2,1H3
InChIKeyXVWIVNCTEQLQIG-UHFFFAOYSA-N
MW308.83 g/mol
LogP4.68
Rot. Bonds4

About N-(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-6-ethoxypyridin-3-amine

N-(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-6-ethoxypyridin-3-amine (PubChem CID 82690731) has the molecular formula C15H17ClN2OS and a molecular weight of 308.83 g/mol. Its IUPAC name is N-(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-6-ethoxypyridin-3-amine.

Molecular Properties

Compound NameN-(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-6-ethoxypyridin-3-amine
PubChem CID82690731
Molecular FormulaC15H17ClN2OS
Molecular Weight308.83 g/mol
Exact Mass308.08
IUPAC NameN-(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-6-ethoxypyridin-3-amine
SMILESCCOc1ccc(NC2CCCc3sc(Cl)cc32)cn1
InChIInChI=1S/C15H17ClN2OS/c1-2-19-15-7-6-10(9-17-15)18-12-4-3-5-13-11(12)8-14(16)20-13/h6-9,12,18H,2-5H2,1H3
InChIKeyXVWIVNCTEQLQIG-UHFFFAOYSA-N
XLogP4.68
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.83
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-6-ethoxypyridin-3-amine with MolForge

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Related Compounds

2-chloro-N-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82687709
2-bromo-N-(3-chloro-4-ethoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82012021
N-[4-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]phenyl]acetamide
CID 82687102
2-chloro-N-(3,5-dichlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82686841
5-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-1-ethylpyridin-2-one
CID 82689662
4-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-2-methylphenol
CID 82695773
4-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]benzonitrile
CID 82686736
N-(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-6-methylsulfonylpyridin-3-amine
CID 82686299
2-chloro-N-(3,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252155
2-chloro-N-(3-propan-2-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82686856
2-chloro-N-[4-(difluoromethylsulfanyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82686045
N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-2-ethoxypyridin-3-amine
CID 81252058

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-6-ethoxypyridin-3-amine?
The IUPAC name of N-(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-6-ethoxypyridin-3-amine (CID 82690731) is N-(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-6-ethoxypyridin-3-amine.
What is the SMILES notation for N-(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-6-ethoxypyridin-3-amine?
The canonical SMILES for N-(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-6-ethoxypyridin-3-amine is CCOc1ccc(NC2CCCc3sc(Cl)cc32)cn1.
What is the InChIKey of N-(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-6-ethoxypyridin-3-amine?
The InChIKey is XVWIVNCTEQLQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2OS/c1-2-19-15-7-6-10(9-17-15)18-12-4-3-5-13-11(12)8-14(16)20-13/h6-9,12,18H,2-5H2,1H3.
What are the key properties of N-(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-6-ethoxypyridin-3-amine?
N-(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-6-ethoxypyridin-3-amine has a molecular weight of 308.83 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-6-ethoxypyridin-3-amine is sourced from PubChem (CID 82690731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).