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

C16H25ClN2O — CID 114860621

IUPAC1-[5-chloro-2-(2,5-dimethylmorpholin-4-yl)phenyl]butan-2-amine
SMILESCCC(N)Cc1cc(Cl)ccc1N1CC(C)OCC1C
InChIInChI=1S/C16H25ClN2O/c1-4-15(18)8-13-7-14(17)5-6-16(13)19-9-12(3)20-10-11(19)2/h5-7,11-12,15H,4,8-10,18H2,1-3H3
InChIKeyJBPXVBNBICPDGA-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.23
Rot. Bonds4

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

1-[5-chloro-2-(2,5-dimethylmorpholin-4-yl)phenyl]butan-2-amine (PubChem CID 114860621) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 1-[5-chloro-2-(2,5-dimethylmorpholin-4-yl)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[5-chloro-2-(2,5-dimethylmorpholin-4-yl)phenyl]butan-2-amine
PubChem CID114860621
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name1-[5-chloro-2-(2,5-dimethylmorpholin-4-yl)phenyl]butan-2-amine
SMILESCCC(N)Cc1cc(Cl)ccc1N1CC(C)OCC1C
InChIInChI=1S/C16H25ClN2O/c1-4-15(18)8-13-7-14(17)5-6-16(13)19-9-12(3)20-10-11(19)2/h5-7,11-12,15H,4,8-10,18H2,1-3H3
InChIKeyJBPXVBNBICPDGA-UHFFFAOYSA-N
XLogP3.23
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-chloro-2-(2,5-dimethylmorpholin-4-yl)phenyl]propan-2-amine
CID 114860620
1-[5-chloro-2-(2-methylazepan-1-yl)phenyl]butan-2-amine
CID 114861727
N-[[5-chloro-2-(2,5-dimethylmorpholin-4-yl)phenyl]methyl]cyclopropanamine
CID 114848298
1-[5-chloro-2-(2,2,6-trimethylmorpholin-4-yl)phenyl]butan-2-amine
CID 114861313
1-[4-(2,5-dimethylmorpholin-4-yl)-3,5-difluorophenyl]butan-2-amine
CID 63786633
1-[4-(5-ethyl-2-methylmorpholin-4-yl)-3-fluorophenyl]butan-2-amine
CID 63817597
[2-(2,5-dimethylmorpholin-4-yl)-5-fluorophenyl]methanamine
CID 43544860
1-[5-chloro-2-(2,2-dimethylpyrrolidin-1-yl)phenyl]butan-2-amine
CID 114861034
1-[4-(2,5-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanamine
CID 43544700
5-chloro-2-(2,5-dimethylmorpholin-4-yl)-4-fluoroaniline
CID 66076821
[3-chloro-4-(2,5-dimethylmorpholin-4-yl)phenyl]methanol
CID 81152543
2-[4-(2,5-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanamine
CID 55236575

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(2,5-dimethylmorpholin-4-yl)phenyl]butan-2-amine?
The IUPAC name of 1-[5-chloro-2-(2,5-dimethylmorpholin-4-yl)phenyl]butan-2-amine (CID 114860621) is 1-[5-chloro-2-(2,5-dimethylmorpholin-4-yl)phenyl]butan-2-amine.
What is the SMILES notation for 1-[5-chloro-2-(2,5-dimethylmorpholin-4-yl)phenyl]butan-2-amine?
The canonical SMILES for 1-[5-chloro-2-(2,5-dimethylmorpholin-4-yl)phenyl]butan-2-amine is CCC(N)Cc1cc(Cl)ccc1N1CC(C)OCC1C.
What is the InChIKey of 1-[5-chloro-2-(2,5-dimethylmorpholin-4-yl)phenyl]butan-2-amine?
The InChIKey is JBPXVBNBICPDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-4-15(18)8-13-7-14(17)5-6-16(13)19-9-12(3)20-10-11(19)2/h5-7,11-12,15H,4,8-10,18H2,1-3H3.
What are the key properties of 1-[5-chloro-2-(2,5-dimethylmorpholin-4-yl)phenyl]butan-2-amine?
1-[5-chloro-2-(2,5-dimethylmorpholin-4-yl)phenyl]butan-2-amine has a molecular weight of 296.84 g/mol, XLogP of 3.23, 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-(2,5-dimethylmorpholin-4-yl)phenyl]butan-2-amine is sourced from PubChem (CID 114860621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).