4-[1-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-N,N-dimethylaniline

C16H27N3O — CID 115314805

IUPAC4-[1-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-N,N-dimethylaniline
SMILESCC(N)C1CN(C(C)c2ccc(N(C)C)cc2)CCO1
InChIInChI=1S/C16H27N3O/c1-12(17)16-11-19(9-10-20-16)13(2)14-5-7-15(8-6-14)18(3)4/h5-8,12-13,16H,9-11,17H2,1-4H3
InChIKeyQQDSEERYHJQYPT-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.86
Rot. Bonds4

About 4-[1-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-N,N-dimethylaniline

4-[1-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-N,N-dimethylaniline (PubChem CID 115314805) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-[1-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[1-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-N,N-dimethylaniline
PubChem CID115314805
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name4-[1-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-N,N-dimethylaniline
SMILESCC(N)C1CN(C(C)c2ccc(N(C)C)cc2)CCO1
InChIInChI=1S/C16H27N3O/c1-12(17)16-11-19(9-10-20-16)13(2)14-5-7-15(8-6-14)18(3)4/h5-8,12-13,16H,9-11,17H2,1-4H3
InChIKeyQQDSEERYHJQYPT-UHFFFAOYSA-N
XLogP1.86
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 4-[1-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-N,N-dimethylaniline 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

1-[4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]morpholin-2-yl]ethanamine
CID 115314847
1-[4-[1-(3,4-dimethylphenyl)ethyl]morpholin-2-yl]ethanamine
CID 115314814
1-[4-[1-(1,3-benzodioxol-5-yl)ethyl]morpholin-2-yl]ethanamine
CID 115314948
1-[4-[1-(3-nitrophenyl)ethyl]morpholin-2-yl]ethanamine
CID 81491606
1-[4-[1-(4-methylphenyl)propyl]morpholin-2-yl]ethanamine
CID 115314999
2-[1-[2-(1-aminoethyl)morpholin-4-yl]ethyl]benzene-1,4-diol
CID 115314817
1-(4-pentan-3-ylmorpholin-2-yl)ethanamine
CID 115315016
2-[1-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-4-methoxyphenol
CID 115314994
2-[2-(1-aminoethyl)morpholin-4-yl]propanenitrile
CID 115315413
4-[1-(2-methylmorpholin-4-yl)ethyl]phenol
CID 82977780
phenyl-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 79665183
2-[1-[2-(1-aminoethyl)morpholin-4-yl]propyl]phenol
CID 115314981

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-N,N-dimethylaniline?
The IUPAC name of 4-[1-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-N,N-dimethylaniline (CID 115314805) is 4-[1-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[1-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[1-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-N,N-dimethylaniline is CC(N)C1CN(C(C)c2ccc(N(C)C)cc2)CCO1.
What is the InChIKey of 4-[1-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-N,N-dimethylaniline?
The InChIKey is QQDSEERYHJQYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-12(17)16-11-19(9-10-20-16)13(2)14-5-7-15(8-6-14)18(3)4/h5-8,12-13,16H,9-11,17H2,1-4H3.
What are the key properties of 4-[1-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-N,N-dimethylaniline?
4-[1-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-N,N-dimethylaniline has a molecular weight of 277.41 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-N,N-dimethylaniline is sourced from PubChem (CID 115314805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).