N-(2,2-diethoxyethyl)-4-morpholin-4-ylaniline

C16H26N2O3 — CID 81093843

IUPACN-(2,2-diethoxyethyl)-4-morpholin-4-ylaniline
SMILESCCOC(CNc1ccc(N2CCOCC2)cc1)OCC
InChIInChI=1S/C16H26N2O3/c1-3-20-16(21-4-2)13-17-14-5-7-15(8-6-14)18-9-11-19-12-10-18/h5-8,16-17H,3-4,9-13H2,1-2H3
InChIKeyDIRNCOCTPLQEOT-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.33
Rot. Bonds8

About N-(2,2-diethoxyethyl)-4-morpholin-4-ylaniline

N-(2,2-diethoxyethyl)-4-morpholin-4-ylaniline (PubChem CID 81093843) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)-4-morpholin-4-ylaniline.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)-4-morpholin-4-ylaniline
PubChem CID81093843
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC NameN-(2,2-diethoxyethyl)-4-morpholin-4-ylaniline
SMILESCCOC(CNc1ccc(N2CCOCC2)cc1)OCC
InChIInChI=1S/C16H26N2O3/c1-3-20-16(21-4-2)13-17-14-5-7-15(8-6-14)18-9-11-19-12-10-18/h5-8,16-17H,3-4,9-13H2,1-2H3
InChIKeyDIRNCOCTPLQEOT-UHFFFAOYSA-N
XLogP2.33
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-morpholin-4-yl-N-(2-propan-2-yloxyethyl)aniline
CID 55025471
2-methyl-3-(4-morpholin-4-ylanilino)propanenitrile
CID 55025369
N-butyl-4-morpholin-4-ylaniline
CID 28675754
N-(2,2-dimethylpropyl)-4-morpholin-4-ylaniline
CID 20785895
N-(3-methylbutyl)-4-morpholin-4-ylaniline
CID 28675688
1,1,1-trifluoro-3-(4-morpholin-4-ylanilino)propan-2-ol
CID 63899235
N'-tert-butyl-N-(4-morpholin-4-ylphenyl)ethane-1,2-diamine
CID 107444694
2,3-dimethyl-1-(4-morpholin-4-ylanilino)butan-2-ol
CID 114493123
methyl 3-(4-morpholin-4-ylanilino)propanoate
CID 63180474
2-(4-morpholin-4-ylanilino)-N-propan-2-ylacetamide
CID 60647079
2-methyl-2-[(4-morpholin-4-ylanilino)methyl]butan-1-ol
CID 81411111
N-(3-ethylsulfonylpropyl)-4-morpholin-4-ylaniline
CID 65093375

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)-4-morpholin-4-ylaniline?
The IUPAC name of N-(2,2-diethoxyethyl)-4-morpholin-4-ylaniline (CID 81093843) is N-(2,2-diethoxyethyl)-4-morpholin-4-ylaniline.
What is the SMILES notation for N-(2,2-diethoxyethyl)-4-morpholin-4-ylaniline?
The canonical SMILES for N-(2,2-diethoxyethyl)-4-morpholin-4-ylaniline is CCOC(CNc1ccc(N2CCOCC2)cc1)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)-4-morpholin-4-ylaniline?
The InChIKey is DIRNCOCTPLQEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-3-20-16(21-4-2)13-17-14-5-7-15(8-6-14)18-9-11-19-12-10-18/h5-8,16-17H,3-4,9-13H2,1-2H3.
What are the key properties of N-(2,2-diethoxyethyl)-4-morpholin-4-ylaniline?
N-(2,2-diethoxyethyl)-4-morpholin-4-ylaniline has a molecular weight of 294.40 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)-4-morpholin-4-ylaniline is sourced from PubChem (CID 81093843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).