4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-2-propoxybenzene-1,4-diamine

C14H24N2OS — CID 112657152

IUPAC4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-2-propoxybenzene-1,4-diamine
SMILESCCCOc1cc(N(C)C(C)CSC)ccc1N
InChIInChI=1S/C14H24N2OS/c1-5-8-17-14-9-12(6-7-13(14)15)16(3)11(2)10-18-4/h6-7,9,11H,5,8,10,15H2,1-4H3
InChIKeyGRSUEDIVIPUSSM-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.25
Rot. Bonds7

About 4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-2-propoxybenzene-1,4-diamine

4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-2-propoxybenzene-1,4-diamine (PubChem CID 112657152) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-2-propoxybenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-2-propoxybenzene-1,4-diamine
PubChem CID112657152
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-2-propoxybenzene-1,4-diamine
SMILESCCCOc1cc(N(C)C(C)CSC)ccc1N
InChIInChI=1S/C14H24N2OS/c1-5-8-17-14-9-12(6-7-13(14)15)16(3)11(2)10-18-4/h6-7,9,11H,5,8,10,15H2,1-4H3
InChIKeyGRSUEDIVIPUSSM-UHFFFAOYSA-N
XLogP3.25
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-2-propoxybenzene-1,4-diamine
CID 112657003
4-N-methyl-2-propoxy-4-N-propylbenzene-1,4-diamine
CID 63671140
4-N-(4-methoxyphenyl)-4-N-methyl-2-propoxybenzene-1,4-diamine
CID 63677320
3-(4-amino-3-ethoxy-N-methylanilino)butanenitrile
CID 55232164
4-N,4-N-dimethyl-2-(3-methylbutoxy)benzene-1,4-diamine
CID 79588986
4-N-(3,3-dimethylbutan-2-yl)-2-ethoxy-4-N-methylbenzene-1,4-diamine
CID 63677519
4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)-2-propoxybenzene-1,4-diamine
CID 63676257
2-(4-amino-N-ethyl-3-propoxyanilino)ethanol
CID 63670341
4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]-2-propoxybenzene-1,4-diamine
CID 63879433
4-methyl-2-propoxyaniline
CID 24698653
2-(4-amino-N-ethyl-3-propoxyanilino)-N,N-dimethylacetamide
CID 63670160
4-N,4-N-dimethyl-2-(2-propylsulfonylethoxy)benzene-1,4-diamine
CID 106721717

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-2-propoxybenzene-1,4-diamine?
The IUPAC name of 4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-2-propoxybenzene-1,4-diamine (CID 112657152) is 4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-2-propoxybenzene-1,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-2-propoxybenzene-1,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-2-propoxybenzene-1,4-diamine is CCCOc1cc(N(C)C(C)CSC)ccc1N.
What is the InChIKey of 4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-2-propoxybenzene-1,4-diamine?
The InChIKey is GRSUEDIVIPUSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-5-8-17-14-9-12(6-7-13(14)15)16(3)11(2)10-18-4/h6-7,9,11H,5,8,10,15H2,1-4H3.
What are the key properties of 4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-2-propoxybenzene-1,4-diamine?
4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-2-propoxybenzene-1,4-diamine has a molecular weight of 268.43 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-2-propoxybenzene-1,4-diamine is sourced from PubChem (CID 112657152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).