N-(3-methylbutyl)-4-morpholin-4-ylaniline

C15H24N2O — CID 28675688

IUPACN-(3-methylbutyl)-4-morpholin-4-ylaniline
SMILESCC(C)CCNc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C15H24N2O/c1-13(2)7-8-16-14-3-5-15(6-4-14)17-9-11-18-12-10-17/h3-6,13,16H,7-12H2,1-2H3
InChIKeyMRRGCYSRBLHWOD-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.98
Rot. Bonds5

About N-(3-methylbutyl)-4-morpholin-4-ylaniline

N-(3-methylbutyl)-4-morpholin-4-ylaniline (PubChem CID 28675688) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(3-methylbutyl)-4-morpholin-4-ylaniline.

Molecular Properties

Compound NameN-(3-methylbutyl)-4-morpholin-4-ylaniline
PubChem CID28675688
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-(3-methylbutyl)-4-morpholin-4-ylaniline
SMILESCC(C)CCNc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C15H24N2O/c1-13(2)7-8-16-14-3-5-15(6-4-14)17-9-11-18-12-10-17/h3-6,13,16H,7-12H2,1-2H3
InChIKeyMRRGCYSRBLHWOD-UHFFFAOYSA-N
XLogP2.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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'}

Analyze N-(3-methylbutyl)-4-morpholin-4-ylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methylbutyl)-4-piperidin-1-ylaniline
CID 39349482
4-morpholin-4-yl-N-(2-propan-2-yloxyethyl)aniline
CID 55025471
N-butyl-4-morpholin-4-ylaniline
CID 28675754
N'-tert-butyl-N-(4-morpholin-4-ylphenyl)ethane-1,2-diamine
CID 107444694
N-(2,2-dimethylpropyl)-4-morpholin-4-ylaniline
CID 20785895
5-(4-morpholin-4-ylanilino)pentanenitrile
CID 63172451
2,3-dimethyl-1-(4-morpholin-4-ylanilino)butan-2-ol
CID 114493123
2-methyl-3-(4-morpholin-4-ylanilino)propanenitrile
CID 55025369
methyl 3-(4-morpholin-4-ylanilino)propanoate
CID 63180474
2-(4-morpholin-4-ylanilino)-N-propan-2-ylacetamide
CID 60647079
N-(3-ethylsulfonylpropyl)-4-morpholin-4-ylaniline
CID 65093375
4-morpholin-4-yl-N-pent-4-ynylaniline
CID 113374169

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-4-morpholin-4-ylaniline?
The IUPAC name of N-(3-methylbutyl)-4-morpholin-4-ylaniline (CID 28675688) is N-(3-methylbutyl)-4-morpholin-4-ylaniline.
What is the SMILES notation for N-(3-methylbutyl)-4-morpholin-4-ylaniline?
The canonical SMILES for N-(3-methylbutyl)-4-morpholin-4-ylaniline is CC(C)CCNc1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-(3-methylbutyl)-4-morpholin-4-ylaniline?
The InChIKey is MRRGCYSRBLHWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-13(2)7-8-16-14-3-5-15(6-4-14)17-9-11-18-12-10-17/h3-6,13,16H,7-12H2,1-2H3.
What are the key properties of N-(3-methylbutyl)-4-morpholin-4-ylaniline?
N-(3-methylbutyl)-4-morpholin-4-ylaniline has a molecular weight of 248.37 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-4-morpholin-4-ylaniline is sourced from PubChem (CID 28675688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).