3-methoxy-2,4-dimethyl-N-(1-thiophen-2-ylethyl)aniline

C15H19NOS — CID 43739048

IUPAC3-methoxy-2,4-dimethyl-N-(1-thiophen-2-ylethyl)aniline
SMILESCOc1c(C)ccc(NC(C)c2cccs2)c1C
InChIInChI=1S/C15H19NOS/c1-10-7-8-13(11(2)15(10)17-4)16-12(3)14-6-5-9-18-14/h5-9,12,16H,1-4H3
InChIKeyCYSZMBLNTDADOP-UHFFFAOYSA-N
MW261.39 g/mol
LogP4.55
Rot. Bonds4

About 3-methoxy-2,4-dimethyl-N-(1-thiophen-2-ylethyl)aniline

3-methoxy-2,4-dimethyl-N-(1-thiophen-2-ylethyl)aniline (PubChem CID 43739048) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 3-methoxy-2,4-dimethyl-N-(1-thiophen-2-ylethyl)aniline.

Molecular Properties

Compound Name3-methoxy-2,4-dimethyl-N-(1-thiophen-2-ylethyl)aniline
PubChem CID43739048
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name3-methoxy-2,4-dimethyl-N-(1-thiophen-2-ylethyl)aniline
SMILESCOc1c(C)ccc(NC(C)c2cccs2)c1C
InChIInChI=1S/C15H19NOS/c1-10-7-8-13(11(2)15(10)17-4)16-12(3)14-6-5-9-18-14/h5-9,12,16H,1-4H3
InChIKeyCYSZMBLNTDADOP-UHFFFAOYSA-N
XLogP4.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methoxy-2,4-dimethyl-N-(1-thiophen-2-ylethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxy-2,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 43739036
5-bromo-2-methyl-N-(1-thiophen-2-ylethyl)aniline
CID 43729607
5-chloro-2-methyl-N-(1-thiophen-2-ylethyl)aniline
CID 43109746
2-methyl-1-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine
CID 43534379
4-chloro-2-methyl-N-(1-thiophen-2-ylethyl)aniline
CID 43093280
3-methoxy-2,4-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]aniline
CID 43739008
N-[1-(5-bromofuran-2-yl)ethyl]-3-methoxy-2,4-dimethylaniline
CID 104652643
2-methoxy-N-(1-thiophen-2-ylethyl)pyridin-3-amine
CID 43721891
N-(1-cyclopropylethyl)-3-methoxy-2,4-dimethylaniline
CID 43739059
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-thiophen-2-ylethanamine
CID 43534519
2-methyl-3-(1-thiophen-2-ylethylamino)benzoic acid
CID 43737318
3,5-dimethoxy-N-(1-thiophen-2-ylethyl)aniline
CID 43192817

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,4-dimethyl-N-(1-thiophen-2-ylethyl)aniline?
The IUPAC name of 3-methoxy-2,4-dimethyl-N-(1-thiophen-2-ylethyl)aniline (CID 43739048) is 3-methoxy-2,4-dimethyl-N-(1-thiophen-2-ylethyl)aniline.
What is the SMILES notation for 3-methoxy-2,4-dimethyl-N-(1-thiophen-2-ylethyl)aniline?
The canonical SMILES for 3-methoxy-2,4-dimethyl-N-(1-thiophen-2-ylethyl)aniline is COc1c(C)ccc(NC(C)c2cccs2)c1C.
What is the InChIKey of 3-methoxy-2,4-dimethyl-N-(1-thiophen-2-ylethyl)aniline?
The InChIKey is CYSZMBLNTDADOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-10-7-8-13(11(2)15(10)17-4)16-12(3)14-6-5-9-18-14/h5-9,12,16H,1-4H3.
What are the key properties of 3-methoxy-2,4-dimethyl-N-(1-thiophen-2-ylethyl)aniline?
3-methoxy-2,4-dimethyl-N-(1-thiophen-2-ylethyl)aniline has a molecular weight of 261.39 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,4-dimethyl-N-(1-thiophen-2-ylethyl)aniline is sourced from PubChem (CID 43739048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).