1-[5-chloro-2-(2,2,6-trimethylmorpholin-4-yl)phenyl]butan-2-amine

C17H27ClN2O — CID 114861313

IUPAC1-[5-chloro-2-(2,2,6-trimethylmorpholin-4-yl)phenyl]butan-2-amine
SMILESCCC(N)Cc1cc(Cl)ccc1N1CC(C)OC(C)(C)C1
InChIInChI=1S/C17H27ClN2O/c1-5-15(19)9-13-8-14(18)6-7-16(13)20-10-12(2)21-17(3,4)11-20/h6-8,12,15H,5,9-11,19H2,1-4H3
InChIKeyMGVTXJPAXCSOKN-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.62
Rot. Bonds4

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

1-[5-chloro-2-(2,2,6-trimethylmorpholin-4-yl)phenyl]butan-2-amine (PubChem CID 114861313) 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-trimethylmorpholin-4-yl)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[5-chloro-2-(2,2,6-trimethylmorpholin-4-yl)phenyl]butan-2-amine
PubChem CID114861313
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name1-[5-chloro-2-(2,2,6-trimethylmorpholin-4-yl)phenyl]butan-2-amine
SMILESCCC(N)Cc1cc(Cl)ccc1N1CC(C)OC(C)(C)C1
InChIInChI=1S/C17H27ClN2O/c1-5-15(19)9-13-8-14(18)6-7-16(13)20-10-12(2)21-17(3,4)11-20/h6-8,12,15H,5,9-11,19H2,1-4H3
InChIKeyMGVTXJPAXCSOKN-UHFFFAOYSA-N
XLogP3.62
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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-trimethylmorpholin-4-yl)phenyl]butan-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-(2,5-dimethylmorpholin-4-yl)phenyl]butan-2-amine
CID 114860621
1-[5-chloro-2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]propan-2-amine
CID 102746332
4-chloro-2-(2,2,6-trimethylmorpholin-4-yl)benzaldehyde
CID 114844209
2-[3-chloro-4-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanamine
CID 81166311
[4-[2-(aminomethyl)-4-chlorophenyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114776297
1-[5-chloro-2-(2-methylazepan-1-yl)phenyl]butan-2-amine
CID 114861727
5-chloro-4-fluoro-2-(2,2,6-trimethylmorpholin-4-yl)aniline
CID 66077635
1-[5-chloro-2-(2,2-dimethylpyrrolidin-1-yl)phenyl]butan-2-amine
CID 114861034
1-[4-bromo-2-(2,2,6-trimethylmorpholin-4-yl)phenyl]propan-2-amine
CID 63817747
(E)-3-[5-chloro-2-(2,2,6-trimethylmorpholin-4-yl)phenyl]prop-2-enoic acid
CID 114858419
1-[4-chloro-2-(3,3-dimethylpyrrolidin-1-yl)phenyl]butan-2-amine
CID 114862009
(1S)-1-[2-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanamine
CID 63368851

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(2,2,6-trimethylmorpholin-4-yl)phenyl]butan-2-amine?
The IUPAC name of 1-[5-chloro-2-(2,2,6-trimethylmorpholin-4-yl)phenyl]butan-2-amine (CID 114861313) is 1-[5-chloro-2-(2,2,6-trimethylmorpholin-4-yl)phenyl]butan-2-amine.
What is the SMILES notation for 1-[5-chloro-2-(2,2,6-trimethylmorpholin-4-yl)phenyl]butan-2-amine?
The canonical SMILES for 1-[5-chloro-2-(2,2,6-trimethylmorpholin-4-yl)phenyl]butan-2-amine is CCC(N)Cc1cc(Cl)ccc1N1CC(C)OC(C)(C)C1.
What is the InChIKey of 1-[5-chloro-2-(2,2,6-trimethylmorpholin-4-yl)phenyl]butan-2-amine?
The InChIKey is MGVTXJPAXCSOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O/c1-5-15(19)9-13-8-14(18)6-7-16(13)20-10-12(2)21-17(3,4)11-20/h6-8,12,15H,5,9-11,19H2,1-4H3.
What are the key properties of 1-[5-chloro-2-(2,2,6-trimethylmorpholin-4-yl)phenyl]butan-2-amine?
1-[5-chloro-2-(2,2,6-trimethylmorpholin-4-yl)phenyl]butan-2-amine has a molecular weight of 310.87 g/mol, XLogP of 3.62, 4 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-trimethylmorpholin-4-yl)phenyl]butan-2-amine is sourced from PubChem (CID 114861313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).