4-[2-(aminomethyl)-5-methylphenyl]-N-methylmorpholine-3-carboxamide

C14H21N3O2 — CID 83106285

IUPAC4-[2-(aminomethyl)-5-methylphenyl]-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1c1cc(C)ccc1CN
InChIInChI=1S/C14H21N3O2/c1-10-3-4-11(8-15)12(7-10)17-5-6-19-9-13(17)14(18)16-2/h3-4,7,13H,5-6,8-9,15H2,1-2H3,(H,16,18)
InChIKeyFWYDOQJMAHVLPJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.40
Rot. Bonds3

About 4-[2-(aminomethyl)-5-methylphenyl]-N-methylmorpholine-3-carboxamide

4-[2-(aminomethyl)-5-methylphenyl]-N-methylmorpholine-3-carboxamide (PubChem CID 83106285) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[2-(aminomethyl)-5-methylphenyl]-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[2-(aminomethyl)-5-methylphenyl]-N-methylmorpholine-3-carboxamide
PubChem CID83106285
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-[2-(aminomethyl)-5-methylphenyl]-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1c1cc(C)ccc1CN
InChIInChI=1S/C14H21N3O2/c1-10-3-4-11(8-15)12(7-10)17-5-6-19-9-13(17)14(18)16-2/h3-4,7,13H,5-6,8-9,15H2,1-2H3,(H,16,18)
InChIKeyFWYDOQJMAHVLPJ-UHFFFAOYSA-N
XLogP0.40
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(aminomethyl)-2,3-difluorophenyl]-N-methylmorpholine-3-carboxamide
CID 107933034
4-[4-(aminomethyl)-2-bromophenyl]-N-methylmorpholine-3-carboxamide
CID 83106146
4-[2-(aminomethyl)-3-chlorophenyl]-N-methylmorpholine-3-carboxamide
CID 83106780
4-(2-amino-5-methylphenyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83107053
3-amino-4-[3-(methylcarbamoyl)morpholin-4-yl]benzoic acid
CID 83103492
4-(2-amino-5-bromophenyl)-N-methylmorpholine-3-carboxamide
CID 83107043
4-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N-methylmorpholine-3-carboxamide
CID 83106163
4-[2-(aminomethyl)phenyl]-N-cyclopropylmorpholine-3-carboxamide
CID 83106502
4-[2-(2,4-dimethylphenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83101980
2-amino-3-[3-(methylcarbamoyl)morpholin-4-yl]benzoic acid
CID 83103635
2-amino-4-fluoro-5-[3-(methylcarbamoyl)morpholin-4-yl]benzoic acid
CID 83105182
4-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methylmorpholine-3-carboxamide
CID 107113577

Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)-5-methylphenyl]-N-methylmorpholine-3-carboxamide?
The IUPAC name of 4-[2-(aminomethyl)-5-methylphenyl]-N-methylmorpholine-3-carboxamide (CID 83106285) is 4-[2-(aminomethyl)-5-methylphenyl]-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[2-(aminomethyl)-5-methylphenyl]-N-methylmorpholine-3-carboxamide?
The canonical SMILES for 4-[2-(aminomethyl)-5-methylphenyl]-N-methylmorpholine-3-carboxamide is CNC(=O)C1COCCN1c1cc(C)ccc1CN.
What is the InChIKey of 4-[2-(aminomethyl)-5-methylphenyl]-N-methylmorpholine-3-carboxamide?
The InChIKey is FWYDOQJMAHVLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-3-4-11(8-15)12(7-10)17-5-6-19-9-13(17)14(18)16-2/h3-4,7,13H,5-6,8-9,15H2,1-2H3,(H,16,18).
What are the key properties of 4-[2-(aminomethyl)-5-methylphenyl]-N-methylmorpholine-3-carboxamide?
4-[2-(aminomethyl)-5-methylphenyl]-N-methylmorpholine-3-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)-5-methylphenyl]-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 83106285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).