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

C19H21NS — CID 43755746

IUPAC2,4-dimethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]aniline
SMILESCc1ccc(NC(C)c2sc3ccccc3c2C)c(C)c1
InChIInChI=1S/C19H21NS/c1-12-9-10-17(13(2)11-12)20-15(4)19-14(3)16-7-5-6-8-18(16)21-19/h5-11,15,20H,1-4H3
InChIKeyQZZWXOGDJDFQAX-UHFFFAOYSA-N
MW295.45 g/mol
LogP6.00
Rot. Bonds3

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

2,4-dimethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]aniline (PubChem CID 43755746) has the molecular formula C19H21NS and a molecular weight of 295.45 g/mol. Its IUPAC name is 2,4-dimethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]aniline.

Molecular Properties

Compound Name2,4-dimethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]aniline
PubChem CID43755746
Molecular FormulaC19H21NS
Molecular Weight295.45 g/mol
Exact Mass295.14
IUPAC Name2,4-dimethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]aniline
SMILESCc1ccc(NC(C)c2sc3ccccc3c2C)c(C)c1
InChIInChI=1S/C19H21NS/c1-12-9-10-17(13(2)11-12)20-15(4)19-14(3)16-7-5-6-8-18(16)21-19/h5-11,15,20H,1-4H3
InChIKeyQZZWXOGDJDFQAX-UHFFFAOYSA-N
XLogP6.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.45
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-methyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]aniline
CID 43766577
2-chloro-5-methyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]aniline
CID 107630952
5-bromo-2-chloro-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]aniline
CID 63477562
4-fluoro-3-methyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]aniline
CID 63477540
1,3-dimethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]pyrazol-4-amine
CID 102804414
4-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]phenol
CID 43790401
3-bromo-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]aniline
CID 43762871
(1R)-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]-1-phenylethanamine
CID 81351876
4-ethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]aniline
CID 43764320
4-bromo-3-chloro-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]aniline
CID 107619151
N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]but-3-yn-2-amine
CID 114415554
3-methyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]butan-1-amine
CID 43760500

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]aniline?
The IUPAC name of 2,4-dimethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]aniline (CID 43755746) is 2,4-dimethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]aniline.
What is the SMILES notation for 2,4-dimethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]aniline?
The canonical SMILES for 2,4-dimethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]aniline is Cc1ccc(NC(C)c2sc3ccccc3c2C)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]aniline?
The InChIKey is QZZWXOGDJDFQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NS/c1-12-9-10-17(13(2)11-12)20-15(4)19-14(3)16-7-5-6-8-18(16)21-19/h5-11,15,20H,1-4H3.
What are the key properties of 2,4-dimethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]aniline?
2,4-dimethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]aniline has a molecular weight of 295.45 g/mol, XLogP of 6.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]aniline is sourced from PubChem (CID 43755746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).