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

C12H16N2O2 — CID 79468522

IUPAC4-[[4-(aminomethyl)phenyl]methyl]morpholin-3-one
SMILESNCc1ccc(CN2CCOCC2=O)cc1
InChIInChI=1S/C12H16N2O2/c13-7-10-1-3-11(4-2-10)8-14-5-6-16-9-12(14)15/h1-4H,5-9,13H2
InChIKeyZENPFQBOCCGGBW-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.50
Rot. Bonds3

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

4-[[4-(aminomethyl)phenyl]methyl]morpholin-3-one (PubChem CID 79468522) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4-[[4-(aminomethyl)phenyl]methyl]morpholin-3-one.

Molecular Properties

Compound Name4-[[4-(aminomethyl)phenyl]methyl]morpholin-3-one
PubChem CID79468522
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name4-[[4-(aminomethyl)phenyl]methyl]morpholin-3-one
SMILESNCc1ccc(CN2CCOCC2=O)cc1
InChIInChI=1S/C12H16N2O2/c13-7-10-1-3-11(4-2-10)8-14-5-6-16-9-12(14)15/h1-4H,5-9,13H2
InChIKeyZENPFQBOCCGGBW-UHFFFAOYSA-N
XLogP0.50
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-(aminomethyl)-2-fluorophenyl]methyl]morpholin-3-one
CID 107113912
[4-[(3-oxomorpholin-4-yl)methyl]phenyl]boronic acid
CID 155710289
4-[(3-aminophenyl)methyl]morpholin-3-one
CID 79468791
4-[[3-(aminomethyl)-4-methoxyphenyl]methyl]morpholin-3-one
CID 79469483
2-amino-5-[(3-oxomorpholin-4-yl)methyl]benzoic acid
CID 174520823
4-benzyl-1,4-oxazepan-3-one
CID 46318286
4-[(2-amino-6-chlorophenyl)methyl]morpholin-3-one
CID 79468371
5-[(3-oxomorpholin-4-yl)methyl]furan-2-carbohydrazide
CID 79468557
3-[(3-oxomorpholin-4-yl)methyl]benzonitrile
CID 79468539
4-[2-[3-(aminomethyl)phenoxy]ethyl]morpholin-3-one
CID 79469073
2-fluoro-5-[(3-oxomorpholin-4-yl)methyl]benzenecarbothioamide
CID 107879708
(4-methylphenyl)methyl N-[4-[(3-oxomorpholin-4-yl)methyl]phenyl]carbamate
CID 171824401

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(aminomethyl)phenyl]methyl]morpholin-3-one?
The IUPAC name of 4-[[4-(aminomethyl)phenyl]methyl]morpholin-3-one (CID 79468522) is 4-[[4-(aminomethyl)phenyl]methyl]morpholin-3-one.
What is the SMILES notation for 4-[[4-(aminomethyl)phenyl]methyl]morpholin-3-one?
The canonical SMILES for 4-[[4-(aminomethyl)phenyl]methyl]morpholin-3-one is NCc1ccc(CN2CCOCC2=O)cc1.
What is the InChIKey of 4-[[4-(aminomethyl)phenyl]methyl]morpholin-3-one?
The InChIKey is ZENPFQBOCCGGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c13-7-10-1-3-11(4-2-10)8-14-5-6-16-9-12(14)15/h1-4H,5-9,13H2.
What are the key properties of 4-[[4-(aminomethyl)phenyl]methyl]morpholin-3-one?
4-[[4-(aminomethyl)phenyl]methyl]morpholin-3-one has a molecular weight of 220.27 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(aminomethyl)phenyl]methyl]morpholin-3-one is sourced from PubChem (CID 79468522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).