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

C15H24N2O — CID 20785895

IUPACN-(2,2-dimethylpropyl)-4-morpholin-4-ylaniline
SMILESCC(C)(C)CNc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C15H24N2O/c1-15(2,3)12-16-13-4-6-14(7-5-13)17-8-10-18-11-9-17/h4-7,16H,8-12H2,1-3H3
InChIKeyZQYZSJLHHQMWLN-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.98
Rot. Bonds3

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

N-(2,2-dimethylpropyl)-4-morpholin-4-ylaniline (PubChem CID 20785895) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-4-morpholin-4-ylaniline.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-4-morpholin-4-ylaniline
PubChem CID20785895
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-(2,2-dimethylpropyl)-4-morpholin-4-ylaniline
SMILESCC(C)(C)CNc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C15H24N2O/c1-15(2,3)12-16-13-4-6-14(7-5-13)17-8-10-18-11-9-17/h4-7,16H,8-12H2,1-3H3
InChIKeyZQYZSJLHHQMWLN-UHFFFAOYSA-N
XLogP2.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-[(4-morpholin-4-ylanilino)methyl]butan-1-ol
CID 81411111
2,3-dimethyl-1-(4-morpholin-4-ylanilino)butan-2-ol
CID 114493123
2-hydroxy-2-methyl-3-(4-morpholin-4-ylanilino)propanoic acid
CID 104644459
N'-tert-butyl-N-(4-morpholin-4-ylphenyl)ethane-1,2-diamine
CID 107444694
N-butyl-4-morpholin-4-ylaniline
CID 28675754
N-(3-methylbutyl)-4-morpholin-4-ylaniline
CID 28675688
N-(2,2-dimethylpropyl)-4-morpholin-4-ylbenzamide
CID 110474046
N-(2,2-dimethylpropyl)-5-morpholin-4-yl-2-nitroaniline
CID 2959576
1-[(4-morpholin-4-ylanilino)methyl]cyclohexan-1-ol
CID 63180472
1,1,1-trifluoro-3-(4-morpholin-4-ylanilino)propan-2-ol
CID 63899235
4-morpholin-4-yl-N-(2-propan-2-yloxyethyl)aniline
CID 55025471
2-methyl-3-(4-morpholin-4-ylanilino)propanenitrile
CID 55025369

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-4-morpholin-4-ylaniline?
The IUPAC name of N-(2,2-dimethylpropyl)-4-morpholin-4-ylaniline (CID 20785895) is N-(2,2-dimethylpropyl)-4-morpholin-4-ylaniline.
What is the SMILES notation for N-(2,2-dimethylpropyl)-4-morpholin-4-ylaniline?
The canonical SMILES for N-(2,2-dimethylpropyl)-4-morpholin-4-ylaniline is CC(C)(C)CNc1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-(2,2-dimethylpropyl)-4-morpholin-4-ylaniline?
The InChIKey is ZQYZSJLHHQMWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-15(2,3)12-16-13-4-6-14(7-5-13)17-8-10-18-11-9-17/h4-7,16H,8-12H2,1-3H3.
What are the key properties of N-(2,2-dimethylpropyl)-4-morpholin-4-ylaniline?
N-(2,2-dimethylpropyl)-4-morpholin-4-ylaniline has a molecular weight of 248.37 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-4-morpholin-4-ylaniline is sourced from PubChem (CID 20785895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).