(4-ethylsulfanylphenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine

C18H23NOS — CID 106848613

IUPAC(4-ethylsulfanylphenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine
SMILESCCSc1ccc(C(N)c2c(C)cc(C)cc2OC)cc1
InChIInChI=1S/C18H23NOS/c1-5-21-15-8-6-14(7-9-15)18(19)17-13(3)10-12(2)11-16(17)20-4/h6-11,18H,5,19H2,1-4H3
InChIKeyOPACTAZHHPGNBR-UHFFFAOYSA-N
MW301.46 g/mol
LogP4.47
Rot. Bonds5

About (4-ethylsulfanylphenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine

(4-ethylsulfanylphenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine (PubChem CID 106848613) has the molecular formula C18H23NOS and a molecular weight of 301.46 g/mol. Its IUPAC name is (4-ethylsulfanylphenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(4-ethylsulfanylphenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine
PubChem CID106848613
Molecular FormulaC18H23NOS
Molecular Weight301.46 g/mol
Exact Mass301.15
IUPAC Name(4-ethylsulfanylphenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine
SMILESCCSc1ccc(C(N)c2c(C)cc(C)cc2OC)cc1
InChIInChI=1S/C18H23NOS/c1-5-21-15-8-6-14(7-9-15)18(19)17-13(3)10-12(2)11-16(17)20-4/h6-11,18H,5,19H2,1-4H3
InChIKeyOPACTAZHHPGNBR-UHFFFAOYSA-N
XLogP4.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-ethylsulfanylphenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine 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

(2-methoxy-4,6-dimethylphenyl)-(4-methoxyphenyl)methanamine
CID 106680347
(3,4-dichlorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 106680831
(2-methoxy-4,6-dimethylphenyl)-(3-methylphenyl)methanamine
CID 106680388
(2-methoxy-4,6-dimethylphenyl)-(5-methylfuran-3-yl)methanamine
CID 106682403
(4-ethylsulfanylphenyl)-(2-methoxyphenyl)methanamine
CID 106848520
(2-methoxy-4,6-dimethylphenyl)-(2-methoxy-4-methylphenyl)methanamine
CID 106791356
2-amino-2-(2-methoxy-4,6-dimethylphenyl)ethanol
CID 77129779
(5-chloro-2-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 106680991
(4-ethylsulfanylphenyl)-(3-methylphenyl)methanamine
CID 106848621
2-[ethylsulfanyl-(4-methylphenyl)methyl]-1,3-dimethoxy-5-methylbenzene
CID 134318324
4-ethylsulfanyl-2-methoxy-1-methylbenzene
CID 91876133
2-(4-methoxyphenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 64622083

Frequently Asked Questions

What is the IUPAC name of (4-ethylsulfanylphenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine?
The IUPAC name of (4-ethylsulfanylphenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine (CID 106848613) is (4-ethylsulfanylphenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine.
What is the SMILES notation for (4-ethylsulfanylphenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine?
The canonical SMILES for (4-ethylsulfanylphenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine is CCSc1ccc(C(N)c2c(C)cc(C)cc2OC)cc1.
What is the InChIKey of (4-ethylsulfanylphenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine?
The InChIKey is OPACTAZHHPGNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-5-21-15-8-6-14(7-9-15)18(19)17-13(3)10-12(2)11-16(17)20-4/h6-11,18H,5,19H2,1-4H3.
What are the key properties of (4-ethylsulfanylphenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine?
(4-ethylsulfanylphenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine has a molecular weight of 301.46 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylsulfanylphenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine is sourced from PubChem (CID 106848613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).