2-benzyl-2-(3,3-dimethylmorpholin-4-yl)butan-1-amine

C17H28N2O — CID 79007619

IUPAC2-benzyl-2-(3,3-dimethylmorpholin-4-yl)butan-1-amine
SMILESCCC(CN)(Cc1ccccc1)N1CCOCC1(C)C
InChIInChI=1S/C17H28N2O/c1-4-17(13-18,12-15-8-6-5-7-9-15)19-10-11-20-14-16(19,2)3/h5-9H,4,10-14,18H2,1-3H3
InChIKeyQEZRVQGXEHVHDQ-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.45
Rot. Bonds5

About 2-benzyl-2-(3,3-dimethylmorpholin-4-yl)butan-1-amine

2-benzyl-2-(3,3-dimethylmorpholin-4-yl)butan-1-amine (PubChem CID 79007619) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-benzyl-2-(3,3-dimethylmorpholin-4-yl)butan-1-amine.

Molecular Properties

Compound Name2-benzyl-2-(3,3-dimethylmorpholin-4-yl)butan-1-amine
PubChem CID79007619
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-benzyl-2-(3,3-dimethylmorpholin-4-yl)butan-1-amine
SMILESCCC(CN)(Cc1ccccc1)N1CCOCC1(C)C
InChIInChI=1S/C17H28N2O/c1-4-17(13-18,12-15-8-6-5-7-9-15)19-10-11-20-14-16(19,2)3/h5-9H,4,10-14,18H2,1-3H3
InChIKeyQEZRVQGXEHVHDQ-UHFFFAOYSA-N
XLogP2.45
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-benzyl-2-(3,3-dimethylmorpholin-4-yl)butan-1-amine 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

4-(2,2-Diphenylethyl)morpholine
CID 240345
4-(3-Phenylpropyl)morpholine
CID 782728
4-(3-Phenylbutyl)morpholine
CID 2845822
3-Morpholin-4-ylmethyl-benzylamine
CID 6484182
2-(4-Fluorophenyl)-2-(morpholin-4-yl)ethan-1-amine
CID 4352885
4-(2-Phenylethyl)morpholine
CID 411956
2-[4-(3-Phenylbutyl)piperazin-1-yl]ethanol
CID 2845686
4-[3-(4-Tert-butylphenyl)propyl]morpholine
CID 137643283
4-(2-Phenylpropyl)morpholine
CID 2845855
Morpholine, 4-((1-phenylcyclohexyl)methyl)-
CID 567602
2-(Morpholin-4-yl)-1-phenylethan-1-amine
CID 2814462
2-(Morpholin-4-yl)-2-phenylethan-1-amine
CID 3158583

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2-(3,3-dimethylmorpholin-4-yl)butan-1-amine?
The IUPAC name of 2-benzyl-2-(3,3-dimethylmorpholin-4-yl)butan-1-amine (CID 79007619) is 2-benzyl-2-(3,3-dimethylmorpholin-4-yl)butan-1-amine.
What is the SMILES notation for 2-benzyl-2-(3,3-dimethylmorpholin-4-yl)butan-1-amine?
The canonical SMILES for 2-benzyl-2-(3,3-dimethylmorpholin-4-yl)butan-1-amine is CCC(CN)(Cc1ccccc1)N1CCOCC1(C)C.
What is the InChIKey of 2-benzyl-2-(3,3-dimethylmorpholin-4-yl)butan-1-amine?
The InChIKey is QEZRVQGXEHVHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-17(13-18,12-15-8-6-5-7-9-15)19-10-11-20-14-16(19,2)3/h5-9H,4,10-14,18H2,1-3H3.
What are the key properties of 2-benzyl-2-(3,3-dimethylmorpholin-4-yl)butan-1-amine?
2-benzyl-2-(3,3-dimethylmorpholin-4-yl)butan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2-(3,3-dimethylmorpholin-4-yl)butan-1-amine is sourced from PubChem (CID 79007619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).