6-(aminomethyl)-4-(4-propylphenyl)morpholin-3-one

C14H20N2O2 — CID 116838147

IUPAC6-(aminomethyl)-4-(4-propylphenyl)morpholin-3-one
SMILESCCCc1ccc(N2CC(CN)OCC2=O)cc1
InChIInChI=1S/C14H20N2O2/c1-2-3-11-4-6-12(7-5-11)16-9-13(8-15)18-10-14(16)17/h4-7,13H,2-3,8-10,15H2,1H3
InChIKeyQRRSPBGSLYKFKT-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.33
Rot. Bonds4

About 6-(aminomethyl)-4-(4-propylphenyl)morpholin-3-one

6-(aminomethyl)-4-(4-propylphenyl)morpholin-3-one (PubChem CID 116838147) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 6-(aminomethyl)-4-(4-propylphenyl)morpholin-3-one.

Molecular Properties

Compound Name6-(aminomethyl)-4-(4-propylphenyl)morpholin-3-one
PubChem CID116838147
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name6-(aminomethyl)-4-(4-propylphenyl)morpholin-3-one
SMILESCCCc1ccc(N2CC(CN)OCC2=O)cc1
InChIInChI=1S/C14H20N2O2/c1-2-3-11-4-6-12(7-5-11)16-9-13(8-15)18-10-14(16)17/h4-7,13H,2-3,8-10,15H2,1H3
InChIKeyQRRSPBGSLYKFKT-UHFFFAOYSA-N
XLogP1.33
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[2-(aminomethyl)-5-oxomorpholin-4-yl]benzoate
CID 117008948
6-(aminomethyl)-4-naphthalen-2-ylmorpholin-3-one
CID 116838193
N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]butanamide
CID 110367688
6-(aminomethyl)-4-(2,3,5,6-tetramethylphenyl)morpholin-3-one
CID 116838153
ethyl N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]carbamate
CID 110367743
6-(3-aminopropyl)-4-(4-chlorophenyl)morpholin-3-one
CID 115060311
6-(3-aminopropyl)-4-(4-fluorophenyl)morpholin-3-one
CID 115060310
1,1-diethyl-3-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]urea
CID 110367747
4-ethenyl-1-(4-propylphenyl)pyrrolidin-2-one
CID 168684103
N-(1-amino-2-methylpropan-2-yl)-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide
CID 119523528
N-[[4-(4-fluorophenyl)-5-oxomorpholin-2-yl]methyl]-3-(4-methoxyphenyl)propanamide
CID 110367352
6-(aminomethyl)-4-[2-(trifluoromethyl)phenyl]morpholin-3-one
CID 115060288

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-4-(4-propylphenyl)morpholin-3-one?
The IUPAC name of 6-(aminomethyl)-4-(4-propylphenyl)morpholin-3-one (CID 116838147) is 6-(aminomethyl)-4-(4-propylphenyl)morpholin-3-one.
What is the SMILES notation for 6-(aminomethyl)-4-(4-propylphenyl)morpholin-3-one?
The canonical SMILES for 6-(aminomethyl)-4-(4-propylphenyl)morpholin-3-one is CCCc1ccc(N2CC(CN)OCC2=O)cc1.
What is the InChIKey of 6-(aminomethyl)-4-(4-propylphenyl)morpholin-3-one?
The InChIKey is QRRSPBGSLYKFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-3-11-4-6-12(7-5-11)16-9-13(8-15)18-10-14(16)17/h4-7,13H,2-3,8-10,15H2,1H3.
What are the key properties of 6-(aminomethyl)-4-(4-propylphenyl)morpholin-3-one?
6-(aminomethyl)-4-(4-propylphenyl)morpholin-3-one has a molecular weight of 248.33 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-4-(4-propylphenyl)morpholin-3-one is sourced from PubChem (CID 116838147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).