5-ethoxy-3-N-(2-thiomorpholin-4-ylethyl)benzene-1,3-diamine

C14H23N3OS — CID 106324907

IUPAC5-ethoxy-3-N-(2-thiomorpholin-4-ylethyl)benzene-1,3-diamine
SMILESCCOc1cc(N)cc(NCCN2CCSCC2)c1
InChIInChI=1S/C14H23N3OS/c1-2-18-14-10-12(15)9-13(11-14)16-3-4-17-5-7-19-8-6-17/h9-11,16H,2-8,15H2,1H3
InChIKeyCWWHVZROMYONTC-UHFFFAOYSA-N
MW281.43 g/mol
LogP2.13
Rot. Bonds6

About 5-ethoxy-3-N-(2-thiomorpholin-4-ylethyl)benzene-1,3-diamine

5-ethoxy-3-N-(2-thiomorpholin-4-ylethyl)benzene-1,3-diamine (PubChem CID 106324907) has the molecular formula C14H23N3OS and a molecular weight of 281.43 g/mol. Its IUPAC name is 5-ethoxy-3-N-(2-thiomorpholin-4-ylethyl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-ethoxy-3-N-(2-thiomorpholin-4-ylethyl)benzene-1,3-diamine
PubChem CID106324907
Molecular FormulaC14H23N3OS
Molecular Weight281.43 g/mol
Exact Mass281.16
IUPAC Name5-ethoxy-3-N-(2-thiomorpholin-4-ylethyl)benzene-1,3-diamine
SMILESCCOc1cc(N)cc(NCCN2CCSCC2)c1
InChIInChI=1S/C14H23N3OS/c1-2-18-14-10-12(15)9-13(11-14)16-3-4-17-5-7-19-8-6-17/h9-11,16H,2-8,15H2,1H3
InChIKeyCWWHVZROMYONTC-UHFFFAOYSA-N
XLogP2.13
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 52.13
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

3-N-butyl-5-ethoxybenzene-1,3-diamine
CID 80722072
5-methoxy-3-N-(2-piperidin-1-ylethyl)benzene-1,3-diamine
CID 80739266
4-N-(2-thiomorpholin-4-ylethyl)benzene-1,4-diamine
CID 106324704
5-ethoxy-3-N-[2-[ethyl(methyl)amino]ethyl]benzene-1,3-diamine
CID 80734963
6-ethoxy-2-methyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine
CID 106325943
3-N-(cyclohexylmethyl)-5-ethoxybenzene-1,3-diamine
CID 80723108
5-ethoxy-3-N-[(4-ethylcyclohexyl)methyl]benzene-1,3-diamine
CID 80738399
3-ethoxy-N-(2-piperidin-1-ylethyl)aniline
CID 54807153
4-ethoxy-5-N-(2-thiomorpholin-4-ylethyl)-1,2-thiazole-3,5-diamine
CID 106327712
5-ethoxy-3-N-(2-piperidin-1-ylpropyl)benzene-1,3-diamine
CID 80740126
3-ethoxy-5-(2-pyrrolidin-1-ylethoxy)aniline
CID 80748537
5-ethoxy-3-N-(4-imidazol-1-ylbutyl)benzene-1,3-diamine
CID 80739747

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-N-(2-thiomorpholin-4-ylethyl)benzene-1,3-diamine?
The IUPAC name of 5-ethoxy-3-N-(2-thiomorpholin-4-ylethyl)benzene-1,3-diamine (CID 106324907) is 5-ethoxy-3-N-(2-thiomorpholin-4-ylethyl)benzene-1,3-diamine.
What is the SMILES notation for 5-ethoxy-3-N-(2-thiomorpholin-4-ylethyl)benzene-1,3-diamine?
The canonical SMILES for 5-ethoxy-3-N-(2-thiomorpholin-4-ylethyl)benzene-1,3-diamine is CCOc1cc(N)cc(NCCN2CCSCC2)c1.
What is the InChIKey of 5-ethoxy-3-N-(2-thiomorpholin-4-ylethyl)benzene-1,3-diamine?
The InChIKey is CWWHVZROMYONTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-2-18-14-10-12(15)9-13(11-14)16-3-4-17-5-7-19-8-6-17/h9-11,16H,2-8,15H2,1H3.
What are the key properties of 5-ethoxy-3-N-(2-thiomorpholin-4-ylethyl)benzene-1,3-diamine?
5-ethoxy-3-N-(2-thiomorpholin-4-ylethyl)benzene-1,3-diamine has a molecular weight of 281.43 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-N-(2-thiomorpholin-4-ylethyl)benzene-1,3-diamine is sourced from PubChem (CID 106324907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).