4-[[3-(aminomethyl)-4-methoxyphenyl]methyl]morpholin-3-one

C13H18N2O3 — CID 79469483

IUPAC4-[[3-(aminomethyl)-4-methoxyphenyl]methyl]morpholin-3-one
SMILESCOc1ccc(CN2CCOCC2=O)cc1CN
InChIInChI=1S/C13H18N2O3/c1-17-12-3-2-10(6-11(12)7-14)8-15-4-5-18-9-13(15)16/h2-3,6H,4-5,7-9,14H2,1H3
InChIKeyIQYJXZWUYDEUMS-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.51
Rot. Bonds4

About 4-[[3-(aminomethyl)-4-methoxyphenyl]methyl]morpholin-3-one

4-[[3-(aminomethyl)-4-methoxyphenyl]methyl]morpholin-3-one (PubChem CID 79469483) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-[[3-(aminomethyl)-4-methoxyphenyl]methyl]morpholin-3-one.

Molecular Properties

Compound Name4-[[3-(aminomethyl)-4-methoxyphenyl]methyl]morpholin-3-one
PubChem CID79469483
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name4-[[3-(aminomethyl)-4-methoxyphenyl]methyl]morpholin-3-one
SMILESCOc1ccc(CN2CCOCC2=O)cc1CN
InChIInChI=1S/C13H18N2O3/c1-17-12-3-2-10(6-11(12)7-14)8-15-4-5-18-9-13(15)16/h2-3,6H,4-5,7-9,14H2,1H3
InChIKeyIQYJXZWUYDEUMS-UHFFFAOYSA-N
XLogP0.51
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(aminomethyl)phenyl]methyl]morpholin-3-one
CID 79468522
4-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]morpholin-3-one
CID 79467860
4-[[3-(aminomethyl)-2-fluorophenyl]methyl]morpholin-3-one
CID 107113912
[2-methoxy-5-[(2-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 65341173
4-[(3-aminophenyl)methyl]morpholin-3-one
CID 79468791
2-amino-5-[(3-oxomorpholin-4-yl)methyl]benzoic acid
CID 174520823
1-[4-[[3-(aminomethyl)-4-methoxyphenyl]methyl]piperazin-1-yl]ethanone
CID 65340739
[5-[(2,2-dimethylmorpholin-4-yl)methyl]-2-methoxyphenyl]methanamine
CID 65340796
[2-methoxy-5-[(4-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 65341079
[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methanamine
CID 65338758
2-fluoro-5-[(3-oxomorpholin-4-yl)methyl]benzenecarbothioamide
CID 107879708
[4-[(3-oxomorpholin-4-yl)methyl]phenyl]boronic acid
CID 155710289

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(aminomethyl)-4-methoxyphenyl]methyl]morpholin-3-one?
The IUPAC name of 4-[[3-(aminomethyl)-4-methoxyphenyl]methyl]morpholin-3-one (CID 79469483) is 4-[[3-(aminomethyl)-4-methoxyphenyl]methyl]morpholin-3-one.
What is the SMILES notation for 4-[[3-(aminomethyl)-4-methoxyphenyl]methyl]morpholin-3-one?
The canonical SMILES for 4-[[3-(aminomethyl)-4-methoxyphenyl]methyl]morpholin-3-one is COc1ccc(CN2CCOCC2=O)cc1CN.
What is the InChIKey of 4-[[3-(aminomethyl)-4-methoxyphenyl]methyl]morpholin-3-one?
The InChIKey is IQYJXZWUYDEUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-17-12-3-2-10(6-11(12)7-14)8-15-4-5-18-9-13(15)16/h2-3,6H,4-5,7-9,14H2,1H3.
What are the key properties of 4-[[3-(aminomethyl)-4-methoxyphenyl]methyl]morpholin-3-one?
4-[[3-(aminomethyl)-4-methoxyphenyl]methyl]morpholin-3-one has a molecular weight of 250.30 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(aminomethyl)-4-methoxyphenyl]methyl]morpholin-3-one is sourced from PubChem (CID 79469483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).