2-(4-aminophenyl)sulfanyl-4,5-dimethoxyaniline

C14H16N2O2S — CID 3044231

IUPAC2-(4-aminophenyl)sulfanyl-4,5-dimethoxyaniline
SMILESCOc1cc(N)c(Sc2ccc(N)cc2)cc1OC
InChIInChI=1S/C14H16N2O2S/c1-17-12-7-11(16)14(8-13(12)18-2)19-10-5-3-9(15)4-6-10/h3-8H,15-16H2,1-2H3
InChIKeyVKPNTFNSMHCUOQ-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.02
Rot. Bonds4

About 2-(4-aminophenyl)sulfanyl-4,5-dimethoxyaniline

2-(4-aminophenyl)sulfanyl-4,5-dimethoxyaniline (PubChem CID 3044231) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-(4-aminophenyl)sulfanyl-4,5-dimethoxyaniline.

Molecular Properties

Compound Name2-(4-aminophenyl)sulfanyl-4,5-dimethoxyaniline
PubChem CID3044231
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name2-(4-aminophenyl)sulfanyl-4,5-dimethoxyaniline
SMILESCOc1cc(N)c(Sc2ccc(N)cc2)cc1OC
InChIInChI=1S/C14H16N2O2S/c1-17-12-7-11(16)14(8-13(12)18-2)19-10-5-3-9(15)4-6-10/h3-8H,15-16H2,1-2H3
InChIKeyVKPNTFNSMHCUOQ-UHFFFAOYSA-N
XLogP3.02
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethoxyphenyl)-3,4-dimethoxybenzenesulfonamide
CID 1004366
Benzene, 1,1'-thiobis(4,5-dimethoxy-2-nitro-
CID 633876
m-Anisidine, 4-((5-(phenylthio)pentyl)oxy)-
CID 60195
2-Amino-4,5-dimethoxybenzenethiol
CID 13589902
Benzenamine, 2-((4-aminophenyl)sulfonyl)-4,5-dimethoxy-
CID 60315
Benzene, 1,2-dimethoxy-4-nitro-5-((4-nitrophenyl)thio)-
CID 3044230
Imidodicarbonimidic diamide, N-(4-((2-amino-4,5-dimethoxyphenyl)thio)phenyl)-
CID 3044232
1,2-Dimethoxy-4-nitro-5-(4-nitrobenzene-1-sulfinyl)benzene
CID 3044233
Benzene, 1,2-dimethoxy-4-nitro-5-((4-nitrophenyl)sulfonyl)-
CID 3044234
7-(Methylsulfanyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 47003128
4-Phenylthio-5-amino veratrole
CID 621535
3,4,5-Trimethoxy-2',4'-diaminodiphenylsulfide
CID 627811

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)sulfanyl-4,5-dimethoxyaniline?
The IUPAC name of 2-(4-aminophenyl)sulfanyl-4,5-dimethoxyaniline (CID 3044231) is 2-(4-aminophenyl)sulfanyl-4,5-dimethoxyaniline.
What is the SMILES notation for 2-(4-aminophenyl)sulfanyl-4,5-dimethoxyaniline?
The canonical SMILES for 2-(4-aminophenyl)sulfanyl-4,5-dimethoxyaniline is COc1cc(N)c(Sc2ccc(N)cc2)cc1OC.
What is the InChIKey of 2-(4-aminophenyl)sulfanyl-4,5-dimethoxyaniline?
The InChIKey is VKPNTFNSMHCUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-17-12-7-11(16)14(8-13(12)18-2)19-10-5-3-9(15)4-6-10/h3-8H,15-16H2,1-2H3.
What are the key properties of 2-(4-aminophenyl)sulfanyl-4,5-dimethoxyaniline?
2-(4-aminophenyl)sulfanyl-4,5-dimethoxyaniline has a molecular weight of 276.36 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)sulfanyl-4,5-dimethoxyaniline is sourced from PubChem (CID 3044231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).