4-(4-methoxyphenyl)sulfanyl-2-methylaniline

C14H15NOS — CID 43436441

IUPAC4-(4-methoxyphenyl)sulfanyl-2-methylaniline
SMILESCOc1ccc(Sc2ccc(N)c(C)c2)cc1
InChIInChI=1S/C14H15NOS/c1-10-9-13(7-8-14(10)15)17-12-5-3-11(16-2)4-6-12/h3-9H,15H2,1-2H3
InChIKeyJDIYMODPWRNCBM-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.74
Rot. Bonds3

About 4-(4-methoxyphenyl)sulfanyl-2-methylaniline

4-(4-methoxyphenyl)sulfanyl-2-methylaniline (PubChem CID 43436441) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)sulfanyl-2-methylaniline.

Molecular Properties

Compound Name4-(4-methoxyphenyl)sulfanyl-2-methylaniline
PubChem CID43436441
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name4-(4-methoxyphenyl)sulfanyl-2-methylaniline
SMILESCOc1ccc(Sc2ccc(N)c(C)c2)cc1
InChIInChI=1S/C14H15NOS/c1-10-9-13(7-8-14(10)15)17-12-5-3-11(16-2)4-6-12/h3-9H,15H2,1-2H3
InChIKeyJDIYMODPWRNCBM-UHFFFAOYSA-N
XLogP3.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(2-methoxyphenyl)sulfanyl-2-methylaniline
CID 61298004
4-N-(4-methoxyphenyl)-2-methylbenzene-1,4-diamine
CID 43436240
1,3-dimethoxy-5-(4-methoxyphenyl)sulfanylbenzene
CID 176734451
2-[4-(4-methoxyphenyl)sulfanyl-2-methylphenyl]acetic acid
CID 91878952
4-[(4-methoxy-6-methyl-2-pyridinyl)methylsulfanyl]-2-methylaniline
CID 82892721
2-(4-methoxyphenyl)sulfanyl-1,3,5-trimethylbenzene
CID 13052775
4-bromo-1-(4-methoxyphenyl)sulfanyl-2-methylbenzene
CID 91877415
[6-(4-methoxyphenyl)sulfanyl-2-methylpyrimidin-4-yl]hydrazine
CID 80930601
6-(3,4-dimethylphenyl)sulfanyl-2-methoxypyridin-3-amine
CID 43262776
4-(2,4-dimethylphenyl)sulfanyl-2-methylaniline
CID 43436438
2-iodo-1-methoxy-4-(4-methoxyphenyl)sulfanylbenzene
CID 91876566
ethyl 2-bromo-4-(4-methoxyphenyl)sulfanylbenzoate
CID 91879101

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)sulfanyl-2-methylaniline?
The IUPAC name of 4-(4-methoxyphenyl)sulfanyl-2-methylaniline (CID 43436441) is 4-(4-methoxyphenyl)sulfanyl-2-methylaniline.
What is the SMILES notation for 4-(4-methoxyphenyl)sulfanyl-2-methylaniline?
The canonical SMILES for 4-(4-methoxyphenyl)sulfanyl-2-methylaniline is COc1ccc(Sc2ccc(N)c(C)c2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)sulfanyl-2-methylaniline?
The InChIKey is JDIYMODPWRNCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-10-9-13(7-8-14(10)15)17-12-5-3-11(16-2)4-6-12/h3-9H,15H2,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)sulfanyl-2-methylaniline?
4-(4-methoxyphenyl)sulfanyl-2-methylaniline has a molecular weight of 245.35 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)sulfanyl-2-methylaniline is sourced from PubChem (CID 43436441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).