4-[2-(aminomethyl)-3-chlorophenyl]-N-methylmorpholine-3-carboxamide

C13H18ClN3O2 — CID 83106780

IUPAC4-[2-(aminomethyl)-3-chlorophenyl]-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1c1cccc(Cl)c1CN
InChIInChI=1S/C13H18ClN3O2/c1-16-13(18)12-8-19-6-5-17(12)11-4-2-3-10(14)9(11)7-15/h2-4,12H,5-8,15H2,1H3,(H,16,18)
InChIKeyHRLBKGYOOVOZEG-UHFFFAOYSA-N
MW283.76 g/mol
LogP0.75
Rot. Bonds3

About 4-[2-(aminomethyl)-3-chlorophenyl]-N-methylmorpholine-3-carboxamide

4-[2-(aminomethyl)-3-chlorophenyl]-N-methylmorpholine-3-carboxamide (PubChem CID 83106780) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 4-[2-(aminomethyl)-3-chlorophenyl]-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[2-(aminomethyl)-3-chlorophenyl]-N-methylmorpholine-3-carboxamide
PubChem CID83106780
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name4-[2-(aminomethyl)-3-chlorophenyl]-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1c1cccc(Cl)c1CN
InChIInChI=1S/C13H18ClN3O2/c1-16-13(18)12-8-19-6-5-17(12)11-4-2-3-10(14)9(11)7-15/h2-4,12H,5-8,15H2,1H3,(H,16,18)
InChIKeyHRLBKGYOOVOZEG-UHFFFAOYSA-N
XLogP0.75
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(aminomethyl)-3-chlorophenyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83097593
2-amino-3-[3-(methylcarbamoyl)morpholin-4-yl]benzoic acid
CID 83103635
4-[4-(aminomethyl)-2,3-difluorophenyl]-N-methylmorpholine-3-carboxamide
CID 107933034
4-[2-(aminomethyl)-5-methylphenyl]-N-methylmorpholine-3-carboxamide
CID 83106285
4-[4-(aminomethyl)-2-bromophenyl]-N-methylmorpholine-3-carboxamide
CID 83106146
4-[2-(2-chlorophenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83103176
3-amino-4-[3-(methylcarbamoyl)morpholin-4-yl]benzoic acid
CID 83103492
4-[4-(aminomethyl)-2-chlorophenyl]-N-ethylmorpholine-3-carboxamide
CID 83106357
4-(2-carbamothioyl-4-chlorophenyl)-N-methylmorpholine-3-carboxamide
CID 83098502
4-[4-(aminomethyl)-2-chlorophenyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83097596
4-(4,6-dichloro-1,3,5-triazin-2-yl)-N-methylmorpholine-3-carboxamide
CID 83103129
4-(2-amino-5-bromophenyl)-N-methylmorpholine-3-carboxamide
CID 83107043

Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)-3-chlorophenyl]-N-methylmorpholine-3-carboxamide?
The IUPAC name of 4-[2-(aminomethyl)-3-chlorophenyl]-N-methylmorpholine-3-carboxamide (CID 83106780) is 4-[2-(aminomethyl)-3-chlorophenyl]-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[2-(aminomethyl)-3-chlorophenyl]-N-methylmorpholine-3-carboxamide?
The canonical SMILES for 4-[2-(aminomethyl)-3-chlorophenyl]-N-methylmorpholine-3-carboxamide is CNC(=O)C1COCCN1c1cccc(Cl)c1CN.
What is the InChIKey of 4-[2-(aminomethyl)-3-chlorophenyl]-N-methylmorpholine-3-carboxamide?
The InChIKey is HRLBKGYOOVOZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-16-13(18)12-8-19-6-5-17(12)11-4-2-3-10(14)9(11)7-15/h2-4,12H,5-8,15H2,1H3,(H,16,18).
What are the key properties of 4-[2-(aminomethyl)-3-chlorophenyl]-N-methylmorpholine-3-carboxamide?
4-[2-(aminomethyl)-3-chlorophenyl]-N-methylmorpholine-3-carboxamide has a molecular weight of 283.76 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)-3-chlorophenyl]-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 83106780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).