4-ethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]aniline

C19H21NS — CID 43764320

IUPAC4-ethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]aniline
SMILESCCc1ccc(NC(C)c2sc3ccccc3c2C)cc1
InChIInChI=1S/C19H21NS/c1-4-15-9-11-16(12-10-15)20-14(3)19-13(2)17-7-5-6-8-18(17)21-19/h5-12,14,20H,4H2,1-3H3
InChIKeyDEQBKADRLNISJW-UHFFFAOYSA-N
MW295.45 g/mol
LogP5.95
Rot. Bonds4

About 4-ethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]aniline

4-ethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]aniline (PubChem CID 43764320) has the molecular formula C19H21NS and a molecular weight of 295.45 g/mol. Its IUPAC name is 4-ethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]aniline.

Molecular Properties

Compound Name4-ethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]aniline
PubChem CID43764320
Molecular FormulaC19H21NS
Molecular Weight295.45 g/mol
Exact Mass295.14
IUPAC Name4-ethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]aniline
SMILESCCc1ccc(NC(C)c2sc3ccccc3c2C)cc1
InChIInChI=1S/C19H21NS/c1-4-15-9-11-16(12-10-15)20-14(3)19-13(2)17-7-5-6-8-18(17)21-19/h5-12,14,20H,4H2,1-3H3
InChIKeyDEQBKADRLNISJW-UHFFFAOYSA-N
XLogP5.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.45
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]phenol
CID 43790401
4-fluoro-3-methyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]aniline
CID 63477540
3-bromo-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]aniline
CID 43762871
N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]hydroxylamine
CID 82684826
4-bromo-3-chloro-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]aniline
CID 107619151
(1R)-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]-1-phenylethanamine
CID 81351876
3-methyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]butan-1-amine
CID 43760500
2,4-dimethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]aniline
CID 43755746
N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]but-3-yn-2-amine
CID 114415554
N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]pent-4-yn-2-amine
CID 113477222
3-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]propan-1-ol
CID 43770603
1-(3-methyl-1-benzothiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 106282077

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]aniline?
The IUPAC name of 4-ethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]aniline (CID 43764320) is 4-ethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]aniline.
What is the SMILES notation for 4-ethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]aniline?
The canonical SMILES for 4-ethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]aniline is CCc1ccc(NC(C)c2sc3ccccc3c2C)cc1.
What is the InChIKey of 4-ethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]aniline?
The InChIKey is DEQBKADRLNISJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NS/c1-4-15-9-11-16(12-10-15)20-14(3)19-13(2)17-7-5-6-8-18(17)21-19/h5-12,14,20H,4H2,1-3H3.
What are the key properties of 4-ethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]aniline?
4-ethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]aniline has a molecular weight of 295.45 g/mol, XLogP of 5.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]aniline is sourced from PubChem (CID 43764320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).