2,5-dimethyl-4-(3-methylsulfanylphenoxy)aniline;methanamine

C16H22N2OS — CID 142473868

IUPAC2,5-dimethyl-4-(3-methylsulfanylphenoxy)aniline;methanamine
SMILESCN.CSc1cccc(Oc2cc(C)c(N)cc2C)c1
InChIInChI=1S/C15H17NOS.CH5N/c1-10-8-15(11(2)7-14(10)16)17-12-5-4-6-13(9-12)18-3;1-2/h4-9H,16H2,1-3H3;2H2,1H3
InChIKeyGBJHGBCIVKYZDD-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.97
Rot. Bonds3

About 2,5-dimethyl-4-(3-methylsulfanylphenoxy)aniline;methanamine

2,5-dimethyl-4-(3-methylsulfanylphenoxy)aniline;methanamine (PubChem CID 142473868) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 2,5-dimethyl-4-(3-methylsulfanylphenoxy)aniline;methanamine.

Molecular Properties

Compound Name2,5-dimethyl-4-(3-methylsulfanylphenoxy)aniline;methanamine
PubChem CID142473868
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name2,5-dimethyl-4-(3-methylsulfanylphenoxy)aniline;methanamine
SMILESCN.CSc1cccc(Oc2cc(C)c(N)cc2C)c1
InChIInChI=1S/C15H17NOS.CH5N/c1-10-8-15(11(2)7-14(10)16)17-12-5-4-6-13(9-12)18-3;1-2/h4-9H,16H2,1-3H3;2H2,1H3
InChIKeyGBJHGBCIVKYZDD-UHFFFAOYSA-N
XLogP3.97
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5-methyl-4-phenoxyaniline
CID 134607216
2,5-dimethyl-4-[3-(S-methyl-N-phenylsulfonimidoyl)phenoxy]aniline
CID 153491952
2-methyl-5-methylsulfanylaniline
CID 62911126
3-(4-amino-5-chloro-2-methylphenoxy)benzonitrile
CID 113334441
2-(4-amino-2,5-dimethylphenoxy)-6-bromobenzonitrile
CID 114884583
2,5-dimethyl-4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 63181050
4-[(3-chloro-4-pyridinyl)oxy]-2,5-dimethylaniline
CID 79841207
2-chloro-4-(4-fluorophenoxy)-5-methylaniline
CID 115555224
2-(3-fluorophenoxy)-3-methylaniline
CID 115550847
4-(2-fluorophenoxy)-2-methylaniline
CID 26190288
4-methyl-2-(3-methylphenoxy)aniline
CID 26189584
5-fluoro-2-methyl-4-pyridin-4-yloxyaniline
CID 114417665

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(3-methylsulfanylphenoxy)aniline;methanamine?
The IUPAC name of 2,5-dimethyl-4-(3-methylsulfanylphenoxy)aniline;methanamine (CID 142473868) is 2,5-dimethyl-4-(3-methylsulfanylphenoxy)aniline;methanamine.
What is the SMILES notation for 2,5-dimethyl-4-(3-methylsulfanylphenoxy)aniline;methanamine?
The canonical SMILES for 2,5-dimethyl-4-(3-methylsulfanylphenoxy)aniline;methanamine is CN.CSc1cccc(Oc2cc(C)c(N)cc2C)c1.
What is the InChIKey of 2,5-dimethyl-4-(3-methylsulfanylphenoxy)aniline;methanamine?
The InChIKey is GBJHGBCIVKYZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS.CH5N/c1-10-8-15(11(2)7-14(10)16)17-12-5-4-6-13(9-12)18-3;1-2/h4-9H,16H2,1-3H3;2H2,1H3.
What are the key properties of 2,5-dimethyl-4-(3-methylsulfanylphenoxy)aniline;methanamine?
2,5-dimethyl-4-(3-methylsulfanylphenoxy)aniline;methanamine has a molecular weight of 290.43 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-(3-methylsulfanylphenoxy)aniline;methanamine is sourced from PubChem (CID 142473868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).