4-[4-(2-morpholin-4-ylethoxy)phenyl]sulfanylbenzene-1,2-diamine

C18H23N3O2S — CID 154418402

IUPAC4-[4-(2-morpholin-4-ylethoxy)phenyl]sulfanylbenzene-1,2-diamine
SMILESNc1ccc(Sc2ccc(OCCN3CCOCC3)cc2)cc1N
InChIInChI=1S/C18H23N3O2S/c19-17-6-5-16(13-18(17)20)24-15-3-1-14(2-4-15)23-12-9-21-7-10-22-11-8-21/h1-6,13H,7-12,19-20H2
InChIKeyXBHHMHBRDJCWKX-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.71
Rot. Bonds6

About 4-[4-(2-morpholin-4-ylethoxy)phenyl]sulfanylbenzene-1,2-diamine

4-[4-(2-morpholin-4-ylethoxy)phenyl]sulfanylbenzene-1,2-diamine (PubChem CID 154418402) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 4-[4-(2-morpholin-4-ylethoxy)phenyl]sulfanylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-[4-(2-morpholin-4-ylethoxy)phenyl]sulfanylbenzene-1,2-diamine
PubChem CID154418402
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name4-[4-(2-morpholin-4-ylethoxy)phenyl]sulfanylbenzene-1,2-diamine
SMILESNc1ccc(Sc2ccc(OCCN3CCOCC3)cc2)cc1N
InChIInChI=1S/C18H23N3O2S/c19-17-6-5-16(13-18(17)20)24-15-3-1-14(2-4-15)23-12-9-21-7-10-22-11-8-21/h1-6,13H,7-12,19-20H2
InChIKeyXBHHMHBRDJCWKX-UHFFFAOYSA-N
XLogP2.71
TPSA73.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(2-morpholin-4-ylethoxy)aniline;hydrochloride
CID 89422137
4-(2-morpholin-4-ylethoxy)benzamide
CID 35813066
aniline;2-methoxy-4-(2-morpholin-4-ylethoxy)aniline
CID 68685508
methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
4-[2-(4-ethynylphenoxy)ethyl]morpholine
CID 58608139
4-(2-morpholin-4-ylethoxy)benzaldehyde;hydrochloride
CID 23117912
4-[2-(4-buta-1,3-dien-2-ylphenoxy)ethyl]morpholine
CID 123489921
4-[2-(4-phenylpiperazin-1-yl)ethoxy]benzene-1,2-diamine
CID 11404189
4-[2-(4-piperazin-1-ylphenoxy)ethyl]morpholine
CID 43510321
1-[4-(2-morpholin-4-ylethoxy)phenyl]ethanol
CID 43503698
1-fluoro-2-[4-(2-morpholin-4-ylethoxy)phenyl]hydrazine
CID 87332393
4-[2-(3-butoxyphenoxy)ethyl]morpholine
CID 2993436

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-morpholin-4-ylethoxy)phenyl]sulfanylbenzene-1,2-diamine?
The IUPAC name of 4-[4-(2-morpholin-4-ylethoxy)phenyl]sulfanylbenzene-1,2-diamine (CID 154418402) is 4-[4-(2-morpholin-4-ylethoxy)phenyl]sulfanylbenzene-1,2-diamine.
What is the SMILES notation for 4-[4-(2-morpholin-4-ylethoxy)phenyl]sulfanylbenzene-1,2-diamine?
The canonical SMILES for 4-[4-(2-morpholin-4-ylethoxy)phenyl]sulfanylbenzene-1,2-diamine is Nc1ccc(Sc2ccc(OCCN3CCOCC3)cc2)cc1N.
What is the InChIKey of 4-[4-(2-morpholin-4-ylethoxy)phenyl]sulfanylbenzene-1,2-diamine?
The InChIKey is XBHHMHBRDJCWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c19-17-6-5-16(13-18(17)20)24-15-3-1-14(2-4-15)23-12-9-21-7-10-22-11-8-21/h1-6,13H,7-12,19-20H2.
What are the key properties of 4-[4-(2-morpholin-4-ylethoxy)phenyl]sulfanylbenzene-1,2-diamine?
4-[4-(2-morpholin-4-ylethoxy)phenyl]sulfanylbenzene-1,2-diamine has a molecular weight of 345.47 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-morpholin-4-ylethoxy)phenyl]sulfanylbenzene-1,2-diamine is sourced from PubChem (CID 154418402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).