1-(1-benzothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanamine

C19H21NS — CID 115844225

IUPAC1-(1-benzothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(CC(N)c2cc3ccccc3s2)cc1
InChIInChI=1S/C19H21NS/c1-13(2)15-9-7-14(8-10-15)11-17(20)19-12-16-5-3-4-6-18(16)21-19/h3-10,12-13,17H,11,20H2,1-2H3
InChIKeyKWWQZSPUPXNXAW-UHFFFAOYSA-N
MW295.45 g/mol
LogP5.27
Rot. Bonds4

About 1-(1-benzothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanamine

1-(1-benzothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanamine (PubChem CID 115844225) has the molecular formula C19H21NS and a molecular weight of 295.45 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanamine
PubChem CID115844225
Molecular FormulaC19H21NS
Molecular Weight295.45 g/mol
Exact Mass295.14
IUPAC Name1-(1-benzothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(CC(N)c2cc3ccccc3s2)cc1
InChIInChI=1S/C19H21NS/c1-13(2)15-9-7-14(8-10-15)11-17(20)19-12-16-5-3-4-6-18(16)21-19/h3-10,12-13,17H,11,20H2,1-2H3
InChIKeyKWWQZSPUPXNXAW-UHFFFAOYSA-N
XLogP5.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.45
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzothiophen-2-yl)-2-(3-chloro-4-fluorophenyl)ethanamine
CID 103043364
1-(1-benzothiophen-2-yl)-3-methylbutan-1-amine
CID 115782410
1-benzothiophen-2-yl-[4-(2-methylpropyl)phenyl]methanol
CID 63427924
2-[bromo-(4-propan-2-ylphenyl)methyl]-1-benzothiophene
CID 63443757
1-(1-benzothiophen-2-yl)ethanamine
CID 3904659
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-(1-benzothiophen-2-yl)-2-(4-ethylphenyl)ethanol
CID 114980831
1-(1-benzothiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethanamine
CID 66447688
1-benzothiophen-2-yl-(4-methylphenyl)methanamine
CID 61406920
1-(1-benzothiophen-2-yl)-2-(3-chloro-4-pyridinyl)ethanamine
CID 112655446
1-(1-benzothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105030509

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of 1-(1-benzothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanamine (CID 115844225) is 1-(1-benzothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanamine is CC(C)c1ccc(CC(N)c2cc3ccccc3s2)cc1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is KWWQZSPUPXNXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NS/c1-13(2)15-9-7-14(8-10-15)11-17(20)19-12-16-5-3-4-6-18(16)21-19/h3-10,12-13,17H,11,20H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanamine?
1-(1-benzothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 295.45 g/mol, XLogP of 5.27, 4 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-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 115844225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).