5-(3-aminopropyl)-4-(2-chlorophenyl)morpholin-3-one

C13H17ClN2O2 — CID 115060484

IUPAC5-(3-aminopropyl)-4-(2-chlorophenyl)morpholin-3-one
SMILESNCCCC1COCC(=O)N1c1ccccc1Cl
InChIInChI=1S/C13H17ClN2O2/c14-11-5-1-2-6-12(11)16-10(4-3-7-15)8-18-9-13(16)17/h1-2,5-6,10H,3-4,7-9,15H2
InChIKeyQMELPPOFKJLQDO-UHFFFAOYSA-N
MW268.74 g/mol
LogP1.81
Rot. Bonds4

About 5-(3-aminopropyl)-4-(2-chlorophenyl)morpholin-3-one

5-(3-aminopropyl)-4-(2-chlorophenyl)morpholin-3-one (PubChem CID 115060484) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 5-(3-aminopropyl)-4-(2-chlorophenyl)morpholin-3-one.

Molecular Properties

Compound Name5-(3-aminopropyl)-4-(2-chlorophenyl)morpholin-3-one
PubChem CID115060484
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name5-(3-aminopropyl)-4-(2-chlorophenyl)morpholin-3-one
SMILESNCCCC1COCC(=O)N1c1ccccc1Cl
InChIInChI=1S/C13H17ClN2O2/c14-11-5-1-2-6-12(11)16-10(4-3-7-15)8-18-9-13(16)17/h1-2,5-6,10H,3-4,7-9,15H2
InChIKeyQMELPPOFKJLQDO-UHFFFAOYSA-N
XLogP1.81
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-chlorophenyl)-5-(2-hydroxyethyl)morpholin-3-one
CID 117009643
5-(3-aminopropyl)-4-(4-hydroxyphenyl)morpholin-3-one
CID 115060512
5-(3-aminopropyl)-4-benzylmorpholin-3-one
CID 115060565
3-[4-(2-hydroxyphenyl)-5-oxomorpholin-3-yl]propanoic acid
CID 115060501
5-(3-aminopropyl)-4-[(2-methylphenyl)methyl]morpholin-3-one
CID 115060596
4-(5-chloro-2-methylphenyl)-5-(2-hydroxyethyl)morpholin-3-one
CID 117009647
5-(3-aminopropyl)-4-cyclopentylmorpholin-3-one
CID 115060442
2-[1-(2-chlorophenyl)piperidin-2-yl]ethanamine
CID 82388545
3-[4-[(2-chlorophenyl)methyl]-5-oxomorpholin-3-yl]propanoic acid
CID 115060611
4-(3-chloro-2-methylphenyl)-5-oxomorpholine-3-carbonitrile
CID 117009490
4-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]butan-1-one
CID 28933889
4-(5-chlorothiophen-2-yl)-5-(hydroxymethyl)morpholin-3-one
CID 115102785

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)-4-(2-chlorophenyl)morpholin-3-one?
The IUPAC name of 5-(3-aminopropyl)-4-(2-chlorophenyl)morpholin-3-one (CID 115060484) is 5-(3-aminopropyl)-4-(2-chlorophenyl)morpholin-3-one.
What is the SMILES notation for 5-(3-aminopropyl)-4-(2-chlorophenyl)morpholin-3-one?
The canonical SMILES for 5-(3-aminopropyl)-4-(2-chlorophenyl)morpholin-3-one is NCCCC1COCC(=O)N1c1ccccc1Cl.
What is the InChIKey of 5-(3-aminopropyl)-4-(2-chlorophenyl)morpholin-3-one?
The InChIKey is QMELPPOFKJLQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c14-11-5-1-2-6-12(11)16-10(4-3-7-15)8-18-9-13(16)17/h1-2,5-6,10H,3-4,7-9,15H2.
What are the key properties of 5-(3-aminopropyl)-4-(2-chlorophenyl)morpholin-3-one?
5-(3-aminopropyl)-4-(2-chlorophenyl)morpholin-3-one has a molecular weight of 268.74 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropyl)-4-(2-chlorophenyl)morpholin-3-one is sourced from PubChem (CID 115060484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).