3-N-(1-ethylsulfanylpropan-2-yl)-5-propan-2-yloxybenzene-1,3-diamine

C14H24N2OS — CID 113498930

IUPAC3-N-(1-ethylsulfanylpropan-2-yl)-5-propan-2-yloxybenzene-1,3-diamine
SMILESCCSCC(C)Nc1cc(N)cc(OC(C)C)c1
InChIInChI=1S/C14H24N2OS/c1-5-18-9-11(4)16-13-6-12(15)7-14(8-13)17-10(2)3/h6-8,10-11,16H,5,9,15H2,1-4H3
InChIKeyWLTGDQWPNIUOLP-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.61
Rot. Bonds7

About 3-N-(1-ethylsulfanylpropan-2-yl)-5-propan-2-yloxybenzene-1,3-diamine

3-N-(1-ethylsulfanylpropan-2-yl)-5-propan-2-yloxybenzene-1,3-diamine (PubChem CID 113498930) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 3-N-(1-ethylsulfanylpropan-2-yl)-5-propan-2-yloxybenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(1-ethylsulfanylpropan-2-yl)-5-propan-2-yloxybenzene-1,3-diamine
PubChem CID113498930
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name3-N-(1-ethylsulfanylpropan-2-yl)-5-propan-2-yloxybenzene-1,3-diamine
SMILESCCSCC(C)Nc1cc(N)cc(OC(C)C)c1
InChIInChI=1S/C14H24N2OS/c1-5-18-9-11(4)16-13-6-12(15)7-14(8-13)17-10(2)3/h6-8,10-11,16H,5,9,15H2,1-4H3
InChIKeyWLTGDQWPNIUOLP-UHFFFAOYSA-N
XLogP3.61
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.61
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

3-N-(6-methylheptan-2-yl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80740319
3-N-(1-methoxybutan-2-yl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80735464
2-(3-amino-5-propan-2-yloxyanilino)-3-methylbutan-1-ol
CID 80734602
3-N-(3,5-dimethylphenyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80721970
3-N-(cyclopropylmethyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80726467
3-N-(3,5-dichlorophenyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80723309
3-N-(2-butoxyethyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80739389
3-N-(2-methyl-1-thiophen-2-ylpropyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80739717
3-(3-amino-5-propan-2-yloxyanilino)-2,3-dimethylbutan-2-ol
CID 106183454
5-propan-2-yloxy-3-N-(1-pyridin-3-ylethyl)benzene-1,3-diamine
CID 80723403
methyl 2-amino-5-(1-ethylsulfanylpropan-2-ylamino)benzoate
CID 113499324
2-[2-(3-amino-5-propan-2-yloxyanilino)ethoxy]ethanol
CID 80739762

Frequently Asked Questions

What is the IUPAC name of 3-N-(1-ethylsulfanylpropan-2-yl)-5-propan-2-yloxybenzene-1,3-diamine?
The IUPAC name of 3-N-(1-ethylsulfanylpropan-2-yl)-5-propan-2-yloxybenzene-1,3-diamine (CID 113498930) is 3-N-(1-ethylsulfanylpropan-2-yl)-5-propan-2-yloxybenzene-1,3-diamine.
What is the SMILES notation for 3-N-(1-ethylsulfanylpropan-2-yl)-5-propan-2-yloxybenzene-1,3-diamine?
The canonical SMILES for 3-N-(1-ethylsulfanylpropan-2-yl)-5-propan-2-yloxybenzene-1,3-diamine is CCSCC(C)Nc1cc(N)cc(OC(C)C)c1.
What is the InChIKey of 3-N-(1-ethylsulfanylpropan-2-yl)-5-propan-2-yloxybenzene-1,3-diamine?
The InChIKey is WLTGDQWPNIUOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-5-18-9-11(4)16-13-6-12(15)7-14(8-13)17-10(2)3/h6-8,10-11,16H,5,9,15H2,1-4H3.
What are the key properties of 3-N-(1-ethylsulfanylpropan-2-yl)-5-propan-2-yloxybenzene-1,3-diamine?
3-N-(1-ethylsulfanylpropan-2-yl)-5-propan-2-yloxybenzene-1,3-diamine has a molecular weight of 268.43 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1-ethylsulfanylpropan-2-yl)-5-propan-2-yloxybenzene-1,3-diamine is sourced from PubChem (CID 113498930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).