2-[4-(aminomethyl)phenyl]-1-(5-ethyl-2-methylmorpholin-4-yl)ethanone

C16H24N2O2 — CID 63589592

IUPAC2-[4-(aminomethyl)phenyl]-1-(5-ethyl-2-methylmorpholin-4-yl)ethanone
SMILESCCC1COC(C)CN1C(=O)Cc1ccc(CN)cc1
InChIInChI=1S/C16H24N2O2/c1-3-15-11-20-12(2)10-18(15)16(19)8-13-4-6-14(9-17)7-5-13/h4-7,12,15H,3,8-11,17H2,1-2H3
InChIKeyZITFZULWPPBXAO-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.71
Rot. Bonds4

About 2-[4-(aminomethyl)phenyl]-1-(5-ethyl-2-methylmorpholin-4-yl)ethanone

2-[4-(aminomethyl)phenyl]-1-(5-ethyl-2-methylmorpholin-4-yl)ethanone (PubChem CID 63589592) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenyl]-1-(5-ethyl-2-methylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenyl]-1-(5-ethyl-2-methylmorpholin-4-yl)ethanone
PubChem CID63589592
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[4-(aminomethyl)phenyl]-1-(5-ethyl-2-methylmorpholin-4-yl)ethanone
SMILESCCC1COC(C)CN1C(=O)Cc1ccc(CN)cc1
InChIInChI=1S/C16H24N2O2/c1-3-15-11-20-12(2)10-18(15)16(19)8-13-4-6-14(9-17)7-5-13/h4-7,12,15H,3,8-11,17H2,1-2H3
InChIKeyZITFZULWPPBXAO-UHFFFAOYSA-N
XLogP1.71
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(5-ethyl-2-methylmorpholin-4-yl)-2-oxoethyl]benzenecarbothioamide
CID 63589981
2-[4-(aminomethyl)phenyl]-1-(2,5-dimethylmorpholin-4-yl)ethanone
CID 55213909
N-[4-(aminomethyl)phenyl]-5-ethyl-2-methylmorpholine-4-carboxamide
CID 61424962
1-(5-ethyl-2-methylmorpholin-4-yl)-2-(3-hydroxyphenyl)ethanone
CID 61424310
2-(2-aminophenyl)-1-(5-ethyl-2-methylmorpholin-4-yl)ethanone
CID 43574117
[5-(aminomethyl)-2-pyridinyl]-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 55229054
[4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]phenyl]methanamine
CID 43575811
4-amino-1-(5-ethyl-2-methylmorpholin-4-yl)butan-1-one
CID 43579218
2-[4-(aminomethyl)triazol-1-yl]-1-(5-ethyl-2-methylmorpholin-4-yl)ethanone
CID 115459017
N-[4-(aminomethyl)phenyl]-2-(5-ethyl-2-methylmorpholin-4-yl)acetamide
CID 43575816
[(2R,5S)-5-ethyl-2-methylmorpholin-4-yl]-phenylmethanone
CID 95358527
3-amino-1-(5-ethyl-2-methylmorpholin-4-yl)butan-1-one;hydrochloride
CID 119682269

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenyl]-1-(5-ethyl-2-methylmorpholin-4-yl)ethanone?
The IUPAC name of 2-[4-(aminomethyl)phenyl]-1-(5-ethyl-2-methylmorpholin-4-yl)ethanone (CID 63589592) is 2-[4-(aminomethyl)phenyl]-1-(5-ethyl-2-methylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-[4-(aminomethyl)phenyl]-1-(5-ethyl-2-methylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-[4-(aminomethyl)phenyl]-1-(5-ethyl-2-methylmorpholin-4-yl)ethanone is CCC1COC(C)CN1C(=O)Cc1ccc(CN)cc1.
What is the InChIKey of 2-[4-(aminomethyl)phenyl]-1-(5-ethyl-2-methylmorpholin-4-yl)ethanone?
The InChIKey is ZITFZULWPPBXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-15-11-20-12(2)10-18(15)16(19)8-13-4-6-14(9-17)7-5-13/h4-7,12,15H,3,8-11,17H2,1-2H3.
What are the key properties of 2-[4-(aminomethyl)phenyl]-1-(5-ethyl-2-methylmorpholin-4-yl)ethanone?
2-[4-(aminomethyl)phenyl]-1-(5-ethyl-2-methylmorpholin-4-yl)ethanone has a molecular weight of 276.38 g/mol, XLogP of 1.71, 4 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-(5-ethyl-2-methylmorpholin-4-yl)ethanone is sourced from PubChem (CID 63589592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).