1-[2-chloro-6-(2-methylmorpholin-4-yl)phenyl]butan-2-amine

C15H23ClN2O — CID 63786250

IUPAC1-[2-chloro-6-(2-methylmorpholin-4-yl)phenyl]butan-2-amine
SMILESCCC(N)Cc1c(Cl)cccc1N1CCOC(C)C1
InChIInChI=1S/C15H23ClN2O/c1-3-12(17)9-13-14(16)5-4-6-15(13)18-7-8-19-11(2)10-18/h4-6,11-12H,3,7-10,17H2,1-2H3
InChIKeyFKSIYVFADAITFI-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.84
Rot. Bonds4

About 1-[2-chloro-6-(2-methylmorpholin-4-yl)phenyl]butan-2-amine

1-[2-chloro-6-(2-methylmorpholin-4-yl)phenyl]butan-2-amine (PubChem CID 63786250) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 1-[2-chloro-6-(2-methylmorpholin-4-yl)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[2-chloro-6-(2-methylmorpholin-4-yl)phenyl]butan-2-amine
PubChem CID63786250
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name1-[2-chloro-6-(2-methylmorpholin-4-yl)phenyl]butan-2-amine
SMILESCCC(N)Cc1c(Cl)cccc1N1CCOC(C)C1
InChIInChI=1S/C15H23ClN2O/c1-3-12(17)9-13-14(16)5-4-6-15(13)18-7-8-19-11(2)10-18/h4-6,11-12H,3,7-10,17H2,1-2H3
InChIKeyFKSIYVFADAITFI-UHFFFAOYSA-N
XLogP2.84
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

[2-chloro-6-(2-methylmorpholin-4-yl)phenyl]methanamine
CID 43122244
1-(2-chloro-6-morpholin-4-ylphenyl)butan-2-amine
CID 55234857
1-[2-chloro-6-(3,4-dimethylpyrrolidin-1-yl)phenyl]butan-2-amine
CID 79183981
1-[2-chloro-6-(1,4-oxazepan-4-yl)phenyl]butan-2-amine
CID 55236034
1-[2-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]butan-2-amine
CID 66370852
1-[2-chloro-6-(2-methyl-1,4-oxazepan-4-yl)phenyl]-N-methylmethanamine
CID 62973443
1-[2-chloro-6-(3-methoxy-3-methylpiperidin-1-yl)phenyl]butan-2-amine
CID 107395892
2-[2-fluoro-6-(2-methylmorpholin-4-yl)phenyl]ethanamine
CID 114065916
N-[[2-chloro-6-(2-methyl-1,4-oxazepan-4-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63071512
4-(3-chloro-2-nitrophenyl)-2-methylmorpholine
CID 104838773
1-[2-methyl-4-(2-methylmorpholin-4-yl)phenyl]butan-2-amine
CID 63787083
[4-[2-(aminomethyl)-3-chlorophenyl]morpholin-2-yl]methanol
CID 81205346

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(2-methylmorpholin-4-yl)phenyl]butan-2-amine?
The IUPAC name of 1-[2-chloro-6-(2-methylmorpholin-4-yl)phenyl]butan-2-amine (CID 63786250) is 1-[2-chloro-6-(2-methylmorpholin-4-yl)phenyl]butan-2-amine.
What is the SMILES notation for 1-[2-chloro-6-(2-methylmorpholin-4-yl)phenyl]butan-2-amine?
The canonical SMILES for 1-[2-chloro-6-(2-methylmorpholin-4-yl)phenyl]butan-2-amine is CCC(N)Cc1c(Cl)cccc1N1CCOC(C)C1.
What is the InChIKey of 1-[2-chloro-6-(2-methylmorpholin-4-yl)phenyl]butan-2-amine?
The InChIKey is FKSIYVFADAITFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-3-12(17)9-13-14(16)5-4-6-15(13)18-7-8-19-11(2)10-18/h4-6,11-12H,3,7-10,17H2,1-2H3.
What are the key properties of 1-[2-chloro-6-(2-methylmorpholin-4-yl)phenyl]butan-2-amine?
1-[2-chloro-6-(2-methylmorpholin-4-yl)phenyl]butan-2-amine has a molecular weight of 282.81 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(2-methylmorpholin-4-yl)phenyl]butan-2-amine is sourced from PubChem (CID 63786250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).