[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(3-methylphenyl)methanone

C15H22N2O2 — CID 114782065

IUPAC[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CC(CN)OC(C)(C)C2)c1
InChIInChI=1S/C15H22N2O2/c1-11-5-4-6-12(7-11)14(18)17-9-13(8-16)19-15(2,3)10-17/h4-7,13H,8-10,16H2,1-3H3
InChIKeyOSAOHXDVMHEIQZ-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.57
Rot. Bonds2

About [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(3-methylphenyl)methanone

[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(3-methylphenyl)methanone (PubChem CID 114782065) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(3-methylphenyl)methanone.

Molecular Properties

Compound Name[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(3-methylphenyl)methanone
PubChem CID114782065
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CC(CN)OC(C)(C)C2)c1
InChIInChI=1S/C15H22N2O2/c1-11-5-4-6-12(7-11)14(18)17-9-13(8-16)19-15(2,3)10-17/h4-7,13H,8-10,16H2,1-3H3
InChIKeyOSAOHXDVMHEIQZ-UHFFFAOYSA-N
XLogP1.57
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-phenylmethanone
CID 114781933
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2,5-dimethylphenyl)methanone
CID 114782044
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2,6-dihydroxyphenyl)methanone
CID 107691468
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2-methoxy-5-methylphenyl)methanone
CID 114782050
(3-fluorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114778918
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(3-iodophenyl)methanone
CID 114777024
[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(3-iodophenyl)methanone
CID 114781585
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-phenylmethanone
CID 114781210
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-[3-(methoxymethyl)phenyl]methanone
CID 114778947
[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(3,4-dimethylphenyl)methanone
CID 114781527
(4-amino-3-bromophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776793
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(5-methyl-3-pyridinyl)methanone
CID 114778902

Frequently Asked Questions

What is the IUPAC name of [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(3-methylphenyl)methanone?
The IUPAC name of [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(3-methylphenyl)methanone (CID 114782065) is [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(3-methylphenyl)methanone.
What is the SMILES notation for [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(3-methylphenyl)methanone?
The canonical SMILES for [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(3-methylphenyl)methanone is Cc1cccc(C(=O)N2CC(CN)OC(C)(C)C2)c1.
What is the InChIKey of [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(3-methylphenyl)methanone?
The InChIKey is OSAOHXDVMHEIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-5-4-6-12(7-11)14(18)17-9-13(8-16)19-15(2,3)10-17/h4-7,13H,8-10,16H2,1-3H3.
What are the key properties of [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(3-methylphenyl)methanone?
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(3-methylphenyl)methanone has a molecular weight of 262.35 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(3-methylphenyl)methanone is sourced from PubChem (CID 114782065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).