6-(2-aminoethyl)-4-[(3-chlorophenyl)methyl]-6-methylmorpholin-3-one

C14H19ClN2O2 — CID 115068104

IUPAC6-(2-aminoethyl)-4-[(3-chlorophenyl)methyl]-6-methylmorpholin-3-one
SMILESCC1(CCN)CN(Cc2cccc(Cl)c2)C(=O)CO1
InChIInChI=1S/C14H19ClN2O2/c1-14(5-6-16)10-17(13(18)9-19-14)8-11-3-2-4-12(15)7-11/h2-4,7H,5-6,8-10,16H2,1H3
InChIKeyMRHASJPYAWCELC-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.81
Rot. Bonds4

About 6-(2-aminoethyl)-4-[(3-chlorophenyl)methyl]-6-methylmorpholin-3-one

6-(2-aminoethyl)-4-[(3-chlorophenyl)methyl]-6-methylmorpholin-3-one (PubChem CID 115068104) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 6-(2-aminoethyl)-4-[(3-chlorophenyl)methyl]-6-methylmorpholin-3-one.

Molecular Properties

Compound Name6-(2-aminoethyl)-4-[(3-chlorophenyl)methyl]-6-methylmorpholin-3-one
PubChem CID115068104
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name6-(2-aminoethyl)-4-[(3-chlorophenyl)methyl]-6-methylmorpholin-3-one
SMILESCC1(CCN)CN(Cc2cccc(Cl)c2)C(=O)CO1
InChIInChI=1S/C14H19ClN2O2/c1-14(5-6-16)10-17(13(18)9-19-14)8-11-3-2-4-12(15)7-11/h2-4,7H,5-6,8-10,16H2,1H3
InChIKeyMRHASJPYAWCELC-UHFFFAOYSA-N
XLogP1.81
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(2-aminoethyl)-4-[(3-chlorophenyl)methyl]-6-methylmorpholin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(aminomethyl)-4-[(2-bromophenyl)methyl]-6-methylmorpholin-3-one
CID 115068056
5-(2-aminoethyl)-3-[(3-chlorophenyl)methyl]-1,3-oxazolidin-2-one
CID 115060020
5-(2-aminoethyl)-3-[(4-bromophenyl)methyl]-5-methyl-1,3-oxazolidin-2-one
CID 115065199
2-[4-[(2-hydroxyphenyl)methyl]-2-methyl-5-oxomorpholin-2-yl]acetic acid
CID 115068259
3-[(3-chlorophenyl)methyl]-5-methyl-5-piperidin-3-yl-1,3-oxazolidin-2-one
CID 115065021
4-(2-amino-2-methylpropyl)-1-[(3-chlorophenyl)methyl]piperazin-2-one
CID 120853340
methyl (3S)-1-[(3-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 91664291
acetic acid;(3-chlorophenyl)methanamine
CID 174881740
1-[(3-chlorophenyl)methyl]piperidine-2,6-dione
CID 82129732
4-[[4-[(3-chlorophenyl)methyl]-2,3-dioxopiperazin-1-yl]methyl]benzoic acid
CID 53214174
1-(3-chlorophenyl)propan-2-one
CID 2734097
4-[(3-methoxyphenyl)methyl]-6-methyl-6-piperidin-4-ylmorpholin-3-one
CID 115067815

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethyl)-4-[(3-chlorophenyl)methyl]-6-methylmorpholin-3-one?
The IUPAC name of 6-(2-aminoethyl)-4-[(3-chlorophenyl)methyl]-6-methylmorpholin-3-one (CID 115068104) is 6-(2-aminoethyl)-4-[(3-chlorophenyl)methyl]-6-methylmorpholin-3-one.
What is the SMILES notation for 6-(2-aminoethyl)-4-[(3-chlorophenyl)methyl]-6-methylmorpholin-3-one?
The canonical SMILES for 6-(2-aminoethyl)-4-[(3-chlorophenyl)methyl]-6-methylmorpholin-3-one is CC1(CCN)CN(Cc2cccc(Cl)c2)C(=O)CO1.
What is the InChIKey of 6-(2-aminoethyl)-4-[(3-chlorophenyl)methyl]-6-methylmorpholin-3-one?
The InChIKey is MRHASJPYAWCELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-14(5-6-16)10-17(13(18)9-19-14)8-11-3-2-4-12(15)7-11/h2-4,7H,5-6,8-10,16H2,1H3.
What are the key properties of 6-(2-aminoethyl)-4-[(3-chlorophenyl)methyl]-6-methylmorpholin-3-one?
6-(2-aminoethyl)-4-[(3-chlorophenyl)methyl]-6-methylmorpholin-3-one has a molecular weight of 282.77 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-(2-aminoethyl)-4-[(3-chlorophenyl)methyl]-6-methylmorpholin-3-one is sourced from PubChem (CID 115068104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).