N-[3-(2,2-dimethylmorpholin-4-yl)propyl]aniline

C15H24N2O — CID 62570408

IUPACN-[3-(2,2-dimethylmorpholin-4-yl)propyl]aniline
SMILESCC1(C)CN(CCCNc2ccccc2)CCO1
InChIInChI=1S/C15H24N2O/c1-15(2)13-17(11-12-18-15)10-6-9-16-14-7-4-3-5-8-14/h3-5,7-8,16H,6,9-13H2,1-2H3
InChIKeyYYLHODCIICHNQJ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.60
Rot. Bonds5

About N-[3-(2,2-dimethylmorpholin-4-yl)propyl]aniline

N-[3-(2,2-dimethylmorpholin-4-yl)propyl]aniline (PubChem CID 62570408) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[3-(2,2-dimethylmorpholin-4-yl)propyl]aniline.

Molecular Properties

Compound NameN-[3-(2,2-dimethylmorpholin-4-yl)propyl]aniline
PubChem CID62570408
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[3-(2,2-dimethylmorpholin-4-yl)propyl]aniline
SMILESCC1(C)CN(CCCNc2ccccc2)CCO1
InChIInChI=1S/C15H24N2O/c1-15(2)13-17(11-12-18-15)10-6-9-16-14-7-4-3-5-8-14/h3-5,7-8,16H,6,9-13H2,1-2H3
InChIKeyYYLHODCIICHNQJ-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-(2,2-dimethylmorpholin-4-yl)propyl]aniline 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

3-bromo-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]aniline
CID 62560814
N-[3-(1,3-dihydroisoindol-2-yl)propyl]aniline
CID 62570411
4-(2,2-dimethylmorpholin-4-yl)butan-1-amine
CID 43592480
2-amino-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-phenylacetamide;dihydrochloride
CID 119868874
4-[3-(2,2-dimethylmorpholin-4-yl)propyl]aniline
CID 115341786
N-[3-(2-methyl-1,4-oxazepan-4-yl)propyl]aniline
CID 62966555
3-(2,2-dimethylmorpholin-4-yl)propan-1-ol;ethane
CID 162683965
4-(2,2-dimethylmorpholin-4-yl)butan-1-ol
CID 43593140
4-(2,2-dimethylmorpholin-4-yl)butanoic acid
CID 43593005
N-(4-piperidin-1-ylbutyl)aniline
CID 67607520
N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-benzofuran-2-sulfonamide
CID 91661760
3-amino-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-methyl-3-phenylpropanamide
CID 119868894

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2-dimethylmorpholin-4-yl)propyl]aniline?
The IUPAC name of N-[3-(2,2-dimethylmorpholin-4-yl)propyl]aniline (CID 62570408) is N-[3-(2,2-dimethylmorpholin-4-yl)propyl]aniline.
What is the SMILES notation for N-[3-(2,2-dimethylmorpholin-4-yl)propyl]aniline?
The canonical SMILES for N-[3-(2,2-dimethylmorpholin-4-yl)propyl]aniline is CC1(C)CN(CCCNc2ccccc2)CCO1.
What is the InChIKey of N-[3-(2,2-dimethylmorpholin-4-yl)propyl]aniline?
The InChIKey is YYLHODCIICHNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-15(2)13-17(11-12-18-15)10-6-9-16-14-7-4-3-5-8-14/h3-5,7-8,16H,6,9-13H2,1-2H3.
What are the key properties of N-[3-(2,2-dimethylmorpholin-4-yl)propyl]aniline?
N-[3-(2,2-dimethylmorpholin-4-yl)propyl]aniline has a molecular weight of 248.37 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2-dimethylmorpholin-4-yl)propyl]aniline is sourced from PubChem (CID 62570408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).