4-[[4-(aminomethyl)phenyl]methyl]morpholine-3-carboxamide

C13H19N3O2 — CID 83101444

IUPAC4-[[4-(aminomethyl)phenyl]methyl]morpholine-3-carboxamide
SMILESNCc1ccc(CN2CCOCC2C(N)=O)cc1
InChIInChI=1S/C13H19N3O2/c14-7-10-1-3-11(4-2-10)8-16-5-6-18-9-12(16)13(15)17/h1-4,12H,5-9,14H2,(H2,15,17)
InChIKeyMASYOTXUVGJVIU-UHFFFAOYSA-N
MW249.31 g/mol
LogP-0.17
Rot. Bonds4

About 4-[[4-(aminomethyl)phenyl]methyl]morpholine-3-carboxamide

4-[[4-(aminomethyl)phenyl]methyl]morpholine-3-carboxamide (PubChem CID 83101444) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-[[4-(aminomethyl)phenyl]methyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-[[4-(aminomethyl)phenyl]methyl]morpholine-3-carboxamide
PubChem CID83101444
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name4-[[4-(aminomethyl)phenyl]methyl]morpholine-3-carboxamide
SMILESNCc1ccc(CN2CCOCC2C(N)=O)cc1
InChIInChI=1S/C13H19N3O2/c14-7-10-1-3-11(4-2-10)8-16-5-6-18-9-12(16)13(15)17/h1-4,12H,5-9,14H2,(H2,15,17)
InChIKeyMASYOTXUVGJVIU-UHFFFAOYSA-N
XLogP-0.17
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(pyridin-4-ylmethyl)morpholine-3-carboxamide
CID 132970427
2-[4-[(3-carbamoylmorpholin-4-yl)methyl]phenyl]propanoic acid
CID 105346152
4-[[4-(aminomethyl)phenyl]methyl]-N-cyclopropylmorpholine-3-carboxamide
CID 83098577
5-[(3-carbamoylmorpholin-4-yl)methyl]furan-2-carboxylic acid
CID 83095889
4-[(2-chloro-4-pyridinyl)methyl]morpholine-3-carboxamide
CID 83092821
4-[(6-chloropyridazin-3-yl)methyl]morpholine-3-carboxamide
CID 104513819
4-[(2-amino-4-pyridinyl)methyl]morpholine-3-carboxamide
CID 83095376
4-[5-(aminomethyl)-2-pyridinyl]morpholine-3-carboxamide
CID 83102569
4-[(2-amino-6-bromophenyl)methyl]morpholine-3-carboxamide
CID 83102348
4-[(5-amino-2-chlorophenyl)methyl]morpholine-3-carboxamide
CID 83102235
4-[[3-(4-hydroxybut-1-ynyl)phenyl]methyl]morpholine-3-carboxamide
CID 83099089
4-[(6-amino-3-chloro-2-pyridinyl)methyl]morpholine-3-carboxamide
CID 83095377

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(aminomethyl)phenyl]methyl]morpholine-3-carboxamide?
The IUPAC name of 4-[[4-(aminomethyl)phenyl]methyl]morpholine-3-carboxamide (CID 83101444) is 4-[[4-(aminomethyl)phenyl]methyl]morpholine-3-carboxamide.
What is the SMILES notation for 4-[[4-(aminomethyl)phenyl]methyl]morpholine-3-carboxamide?
The canonical SMILES for 4-[[4-(aminomethyl)phenyl]methyl]morpholine-3-carboxamide is NCc1ccc(CN2CCOCC2C(N)=O)cc1.
What is the InChIKey of 4-[[4-(aminomethyl)phenyl]methyl]morpholine-3-carboxamide?
The InChIKey is MASYOTXUVGJVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c14-7-10-1-3-11(4-2-10)8-16-5-6-18-9-12(16)13(15)17/h1-4,12H,5-9,14H2,(H2,15,17).
What are the key properties of 4-[[4-(aminomethyl)phenyl]methyl]morpholine-3-carboxamide?
4-[[4-(aminomethyl)phenyl]methyl]morpholine-3-carboxamide has a molecular weight of 249.31 g/mol, XLogP of -0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(aminomethyl)phenyl]methyl]morpholine-3-carboxamide is sourced from PubChem (CID 83101444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).