2-[4-(aminomethyl)phenyl]-1-(2,5-dimethylmorpholin-4-yl)ethanone

C15H22N2O2 — CID 55213909

IUPAC2-[4-(aminomethyl)phenyl]-1-(2,5-dimethylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)Cc2ccc(CN)cc2)C(C)CO1
InChIInChI=1S/C15H22N2O2/c1-11-10-19-12(2)9-17(11)15(18)7-13-3-5-14(8-16)6-4-13/h3-6,11-12H,7-10,16H2,1-2H3
InChIKeyUFNCLDGYNANXHF-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.32
Rot. Bonds3

About 2-[4-(aminomethyl)phenyl]-1-(2,5-dimethylmorpholin-4-yl)ethanone

2-[4-(aminomethyl)phenyl]-1-(2,5-dimethylmorpholin-4-yl)ethanone (PubChem CID 55213909) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenyl]-1-(2,5-dimethylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenyl]-1-(2,5-dimethylmorpholin-4-yl)ethanone
PubChem CID55213909
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-[4-(aminomethyl)phenyl]-1-(2,5-dimethylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)Cc2ccc(CN)cc2)C(C)CO1
InChIInChI=1S/C15H22N2O2/c1-11-10-19-12(2)9-17(11)15(18)7-13-3-5-14(8-16)6-4-13/h3-6,11-12H,7-10,16H2,1-2H3
InChIKeyUFNCLDGYNANXHF-UHFFFAOYSA-N
XLogP1.32
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)phenyl]-1-(5-ethyl-2-methylmorpholin-4-yl)ethanone
CID 63589592
4-[2-(5-ethyl-2-methylmorpholin-4-yl)-2-oxoethyl]benzenecarbothioamide
CID 63589981
1-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-methylsulfanylethanone
CID 94053963
1-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-methylsulfanylethanone
CID 94053964
4-[3-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-3-oxopropyl]benzoic acid
CID 124693867
2-(4-fluorophenyl)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
CID 81207945
4-amino-1-(2,5-dimethylmorpholin-4-yl)-3-methylbutan-1-one
CID 81071477
1-(2,5-dimethylmorpholin-4-yl)-3-(1H-indol-3-yl)propan-1-one
CID 43420925
2-(4-fluorophenyl)-1-(5-methyl-2-phenylmorpholin-4-yl)ethanone
CID 110369331
N-[4-(aminomethyl)phenyl]-5-ethyl-2-methylmorpholine-4-carboxamide
CID 61424962
2-[4-(aminomethyl)phenyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 63589232
N-[4-(aminomethyl)phenyl]-2-(2,5-dimethylmorpholin-4-yl)propanamide
CID 43544268

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenyl]-1-(2,5-dimethylmorpholin-4-yl)ethanone?
The IUPAC name of 2-[4-(aminomethyl)phenyl]-1-(2,5-dimethylmorpholin-4-yl)ethanone (CID 55213909) is 2-[4-(aminomethyl)phenyl]-1-(2,5-dimethylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-[4-(aminomethyl)phenyl]-1-(2,5-dimethylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-[4-(aminomethyl)phenyl]-1-(2,5-dimethylmorpholin-4-yl)ethanone is CC1CN(C(=O)Cc2ccc(CN)cc2)C(C)CO1.
What is the InChIKey of 2-[4-(aminomethyl)phenyl]-1-(2,5-dimethylmorpholin-4-yl)ethanone?
The InChIKey is UFNCLDGYNANXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-10-19-12(2)9-17(11)15(18)7-13-3-5-14(8-16)6-4-13/h3-6,11-12H,7-10,16H2,1-2H3.
What are the key properties of 2-[4-(aminomethyl)phenyl]-1-(2,5-dimethylmorpholin-4-yl)ethanone?
2-[4-(aminomethyl)phenyl]-1-(2,5-dimethylmorpholin-4-yl)ethanone has a molecular weight of 262.35 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenyl]-1-(2,5-dimethylmorpholin-4-yl)ethanone is sourced from PubChem (CID 55213909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).