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

C15H23ClN2O — CID 114860620

IUPAC1-[4-chloro-2-(2,5-dimethylmorpholin-4-yl)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(Cl)cc1N1CC(C)OCC1C
InChIInChI=1S/C15H23ClN2O/c1-10(17)6-13-4-5-14(16)7-15(13)18-8-12(3)19-9-11(18)2/h4-5,7,10-12H,6,8-9,17H2,1-3H3
InChIKeyKHNYIFUOZAUITK-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.84
Rot. Bonds3

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

1-[4-chloro-2-(2,5-dimethylmorpholin-4-yl)phenyl]propan-2-amine (PubChem CID 114860620) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 1-[4-chloro-2-(2,5-dimethylmorpholin-4-yl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-chloro-2-(2,5-dimethylmorpholin-4-yl)phenyl]propan-2-amine
PubChem CID114860620
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name1-[4-chloro-2-(2,5-dimethylmorpholin-4-yl)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(Cl)cc1N1CC(C)OCC1C
InChIInChI=1S/C15H23ClN2O/c1-10(17)6-13-4-5-14(16)7-15(13)18-8-12(3)19-9-11(18)2/h4-5,7,10-12H,6,8-9,17H2,1-3H3
InChIKeyKHNYIFUOZAUITK-UHFFFAOYSA-N
XLogP2.84
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-chloro-2-(2,5-dimethylmorpholin-4-yl)phenyl]butan-2-amine
CID 114860621
1-[4-(2,5-dimethylmorpholin-4-yl)-2-methylphenyl]propan-2-amine
CID 55237187
1-[4-chloro-2-(2,6-dimethylthiomorpholin-4-yl)phenyl]propan-2-amine
CID 114861717
N-[[5-chloro-2-(2,5-dimethylmorpholin-4-yl)phenyl]methyl]cyclopropanamine
CID 114848298
1-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-chlorophenyl]propan-2-amine
CID 114862123
1-[4-(2,5-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanamine
CID 43544700
[4-(2-amino-5-chlorophenyl)-5-methylmorpholin-2-yl]methanol
CID 113315842
1-[4-chloro-2-(2-ethylazepan-1-yl)phenyl]propan-2-amine
CID 114862216
1-[4-chloro-2-(3-ethylpyrrolidin-1-yl)phenyl]propan-2-amine
CID 114862200
1-[6-(2,5-dimethylmorpholin-4-yl)-3-pyridinyl]propan-2-amine
CID 80634198
1-[4-bromo-2-(3-methylmorpholin-4-yl)phenyl]propan-2-amine
CID 55236797
[3-chloro-4-(2,5-dimethylmorpholin-4-yl)phenyl]methanol
CID 81152543

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(2,5-dimethylmorpholin-4-yl)phenyl]propan-2-amine?
The IUPAC name of 1-[4-chloro-2-(2,5-dimethylmorpholin-4-yl)phenyl]propan-2-amine (CID 114860620) is 1-[4-chloro-2-(2,5-dimethylmorpholin-4-yl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[4-chloro-2-(2,5-dimethylmorpholin-4-yl)phenyl]propan-2-amine?
The canonical SMILES for 1-[4-chloro-2-(2,5-dimethylmorpholin-4-yl)phenyl]propan-2-amine is CC(N)Cc1ccc(Cl)cc1N1CC(C)OCC1C.
What is the InChIKey of 1-[4-chloro-2-(2,5-dimethylmorpholin-4-yl)phenyl]propan-2-amine?
The InChIKey is KHNYIFUOZAUITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-10(17)6-13-4-5-14(16)7-15(13)18-8-12(3)19-9-11(18)2/h4-5,7,10-12H,6,8-9,17H2,1-3H3.
What are the key properties of 1-[4-chloro-2-(2,5-dimethylmorpholin-4-yl)phenyl]propan-2-amine?
1-[4-chloro-2-(2,5-dimethylmorpholin-4-yl)phenyl]propan-2-amine has a molecular weight of 282.81 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(2,5-dimethylmorpholin-4-yl)phenyl]propan-2-amine is sourced from PubChem (CID 114860620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).