6-(3-aminopropyl)-4-(4-chlorophenyl)morpholin-3-one

C13H17ClN2O2 — CID 115060311

IUPAC6-(3-aminopropyl)-4-(4-chlorophenyl)morpholin-3-one
SMILESNCCCC1CN(c2ccc(Cl)cc2)C(=O)CO1
InChIInChI=1S/C13H17ClN2O2/c14-10-3-5-11(6-4-10)16-8-12(2-1-7-15)18-9-13(16)17/h3-6,12H,1-2,7-9,15H2
InChIKeyDLSUNXRXVVFJSS-UHFFFAOYSA-N
MW268.74 g/mol
LogP1.81
Rot. Bonds4

About 6-(3-aminopropyl)-4-(4-chlorophenyl)morpholin-3-one

6-(3-aminopropyl)-4-(4-chlorophenyl)morpholin-3-one (PubChem CID 115060311) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 6-(3-aminopropyl)-4-(4-chlorophenyl)morpholin-3-one.

Molecular Properties

Compound Name6-(3-aminopropyl)-4-(4-chlorophenyl)morpholin-3-one
PubChem CID115060311
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name6-(3-aminopropyl)-4-(4-chlorophenyl)morpholin-3-one
SMILESNCCCC1CN(c2ccc(Cl)cc2)C(=O)CO1
InChIInChI=1S/C13H17ClN2O2/c14-10-3-5-11(6-4-10)16-8-12(2-1-7-15)18-9-13(16)17/h3-6,12H,1-2,7-9,15H2
InChIKeyDLSUNXRXVVFJSS-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

6-(3-aminopropyl)-4-(4-fluorophenyl)morpholin-3-one
CID 115060310
6-(3-aminopropyl)-4-(3-methoxyphenyl)morpholin-3-one
CID 115060280
N-[[4-(4-chlorophenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide
CID 110367451
6-(aminomethyl)-4-(4-propylphenyl)morpholin-3-one
CID 116838147
5-(3-aminopropyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 115060000
N-[[4-(4-chlorophenyl)-5-oxomorpholin-2-yl]methyl]-4-propan-2-ylbenzamide
CID 110367409
4-(2-chlorophenyl)-6-(3-hydroxypropyl)morpholin-3-one
CID 117008859
methyl 4-[2-(aminomethyl)-5-oxomorpholin-4-yl]benzoate
CID 117008948
6-(aminomethyl)-4-naphthalen-2-ylmorpholin-3-one
CID 116838193
4-chloro-N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]benzamide
CID 110367877
(5R)-4-(4-aminobutanoyl)-5-butyl-1-(4-chlorophenyl)piperazin-2-one
CID 126451438
4-amino-1-(4-chlorophenyl)pyrrolidin-2-one;hydrochloride
CID 53433785

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminopropyl)-4-(4-chlorophenyl)morpholin-3-one?
The IUPAC name of 6-(3-aminopropyl)-4-(4-chlorophenyl)morpholin-3-one (CID 115060311) is 6-(3-aminopropyl)-4-(4-chlorophenyl)morpholin-3-one.
What is the SMILES notation for 6-(3-aminopropyl)-4-(4-chlorophenyl)morpholin-3-one?
The canonical SMILES for 6-(3-aminopropyl)-4-(4-chlorophenyl)morpholin-3-one is NCCCC1CN(c2ccc(Cl)cc2)C(=O)CO1.
What is the InChIKey of 6-(3-aminopropyl)-4-(4-chlorophenyl)morpholin-3-one?
The InChIKey is DLSUNXRXVVFJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c14-10-3-5-11(6-4-10)16-8-12(2-1-7-15)18-9-13(16)17/h3-6,12H,1-2,7-9,15H2.
What are the key properties of 6-(3-aminopropyl)-4-(4-chlorophenyl)morpholin-3-one?
6-(3-aminopropyl)-4-(4-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 6-(3-aminopropyl)-4-(4-chlorophenyl)morpholin-3-one is sourced from PubChem (CID 115060311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).