4-methoxy-2-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]aniline

C17H21NOS — CID 62868006

IUPAC4-methoxy-2-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]aniline
SMILESCOc1ccc(NC(C)c2ccc(SC)cc2)c(C)c1
InChIInChI=1S/C17H21NOS/c1-12-11-15(19-3)7-10-17(12)18-13(2)14-5-8-16(20-4)9-6-14/h5-11,13,18H,1-4H3
InChIKeyBOKDQCCEVXRBMZ-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.90
Rot. Bonds5

About 4-methoxy-2-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]aniline

4-methoxy-2-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]aniline (PubChem CID 62868006) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 4-methoxy-2-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]aniline.

Molecular Properties

Compound Name4-methoxy-2-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]aniline
PubChem CID62868006
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name4-methoxy-2-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]aniline
SMILESCOc1ccc(NC(C)c2ccc(SC)cc2)c(C)c1
InChIInChI=1S/C17H21NOS/c1-12-11-15(19-3)7-10-17(12)18-13(2)14-5-8-16(20-4)9-6-14/h5-11,13,18H,1-4H3
InChIKeyBOKDQCCEVXRBMZ-UHFFFAOYSA-N
XLogP4.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 4-methoxy-2-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]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-(4-methylsulfanylphenyl)ethyl]aniline
CID 43739008
4-bromo-N-[1-(4-methoxyphenyl)ethyl]-2-methylaniline
CID 43192054
4-methoxy-2-methyl-N-[(2S)-3-methylbutan-2-yl]aniline
CID 94885289
3-N-[1-(4-methoxyphenyl)ethyl]-4-methylbenzene-1,3-diamine
CID 66195446
N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 81354846
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methoxy-2-methylaniline
CID 62867709
N-but-3-en-2-yl-4-methoxy-2-methylaniline
CID 107906934
1-N-[1-(4-methoxyphenyl)ethyl]-4-methylbenzene-1,2-diamine
CID 66197182
3-[1-(4-methoxyphenyl)ethylamino]-2,6-dimethylphenol
CID 43741848
3-bromo-5-chloro-2-methoxy-N-[1-(4-methylsulfanylphenyl)ethyl]aniline
CID 43689308
2,4-dimethoxy-N-(1-phenylethyl)aniline
CID 11586940
4-iodo-2-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline
CID 43717037

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]aniline?
The IUPAC name of 4-methoxy-2-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]aniline (CID 62868006) is 4-methoxy-2-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]aniline.
What is the SMILES notation for 4-methoxy-2-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]aniline?
The canonical SMILES for 4-methoxy-2-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]aniline is COc1ccc(NC(C)c2ccc(SC)cc2)c(C)c1.
What is the InChIKey of 4-methoxy-2-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]aniline?
The InChIKey is BOKDQCCEVXRBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-12-11-15(19-3)7-10-17(12)18-13(2)14-5-8-16(20-4)9-6-14/h5-11,13,18H,1-4H3.
What are the key properties of 4-methoxy-2-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]aniline?
4-methoxy-2-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]aniline has a molecular weight of 287.43 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]aniline is sourced from PubChem (CID 62868006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).