1-[5-chloro-2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]propan-2-amine

C17H27ClN2O — CID 102746332

IUPAC1-[5-chloro-2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]propan-2-amine
SMILESCC(N)Cc1cc(Cl)ccc1N1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C17H27ClN2O/c1-12(19)8-13-9-14(18)6-7-15(13)20-10-16(2,3)21-17(4,5)11-20/h6-7,9,12H,8,10-11,19H2,1-5H3
InChIKeyKSPUOEDBMJTELN-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.62
Rot. Bonds3

About 1-[5-chloro-2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]propan-2-amine

1-[5-chloro-2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]propan-2-amine (PubChem CID 102746332) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 1-[5-chloro-2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[5-chloro-2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]propan-2-amine
PubChem CID102746332
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name1-[5-chloro-2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]propan-2-amine
SMILESCC(N)Cc1cc(Cl)ccc1N1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C17H27ClN2O/c1-12(19)8-13-9-14(18)6-7-15(13)20-10-16(2,3)21-17(4,5)11-20/h6-7,9,12H,8,10-11,19H2,1-5H3
InChIKeyKSPUOEDBMJTELN-UHFFFAOYSA-N
XLogP3.62
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[5-chloro-2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]propan-2-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

1-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]propan-2-amine
CID 114860423
1-[5-chloro-2-(4-propylpiperazin-1-yl)phenyl]propan-2-amine
CID 114860414
1-[5-chloro-2-(4-methoxypiperidin-1-yl)phenyl]propan-2-amine
CID 114860582
1-[5-chloro-2-(2,2,6-trimethylmorpholin-4-yl)phenyl]butan-2-amine
CID 114861313
[5-chloro-2-(2,2-dimethylmorpholin-4-yl)phenyl]methanamine
CID 62494323
[3-chloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine
CID 102742904
4-chloro-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzenecarboximidamide
CID 102744111
[4-[2-(aminomethyl)-4-chlorophenyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114776297
1-[2-fluoro-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanamine
CID 102744257
4-[2-(bromomethyl)-4-nitrophenyl]-2,2,6,6-tetramethylmorpholine
CID 107085435
1-[4-chloro-2-(2,6-dimethylthiomorpholin-4-yl)phenyl]propan-2-amine
CID 114861717
2-(2-aminopropyl)-5-chlorophenol
CID 83697150

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]propan-2-amine?
The IUPAC name of 1-[5-chloro-2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]propan-2-amine (CID 102746332) is 1-[5-chloro-2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[5-chloro-2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]propan-2-amine?
The canonical SMILES for 1-[5-chloro-2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]propan-2-amine is CC(N)Cc1cc(Cl)ccc1N1CC(C)(C)OC(C)(C)C1.
What is the InChIKey of 1-[5-chloro-2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]propan-2-amine?
The InChIKey is KSPUOEDBMJTELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O/c1-12(19)8-13-9-14(18)6-7-15(13)20-10-16(2,3)21-17(4,5)11-20/h6-7,9,12H,8,10-11,19H2,1-5H3.
What are the key properties of 1-[5-chloro-2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]propan-2-amine?
1-[5-chloro-2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]propan-2-amine has a molecular weight of 310.87 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]propan-2-amine is sourced from PubChem (CID 102746332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).