2-(aminomethyl)-N-(3-methylphenyl)morpholine-4-carboxamide

C13H19N3O2 — CID 61337014

IUPAC2-(aminomethyl)-N-(3-methylphenyl)morpholine-4-carboxamide
SMILESCc1cccc(NC(=O)N2CCOC(CN)C2)c1
InChIInChI=1S/C13H19N3O2/c1-10-3-2-4-11(7-10)15-13(17)16-5-6-18-12(8-14)9-16/h2-4,7,12H,5-6,8-9,14H2,1H3,(H,15,17)
InChIKeyIPKWRSMVYXMOJC-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.19
Rot. Bonds2

About 2-(aminomethyl)-N-(3-methylphenyl)morpholine-4-carboxamide

2-(aminomethyl)-N-(3-methylphenyl)morpholine-4-carboxamide (PubChem CID 61337014) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3-methylphenyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(3-methylphenyl)morpholine-4-carboxamide
PubChem CID61337014
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-(aminomethyl)-N-(3-methylphenyl)morpholine-4-carboxamide
SMILESCc1cccc(NC(=O)N2CCOC(CN)C2)c1
InChIInChI=1S/C13H19N3O2/c1-10-3-2-4-11(7-10)15-13(17)16-5-6-18-12(8-14)9-16/h2-4,7,12H,5-6,8-9,14H2,1H3,(H,15,17)
InChIKeyIPKWRSMVYXMOJC-UHFFFAOYSA-N
XLogP1.19
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[(3-methylphenyl)carbamoyl]morpholine-2-carboxylate
CID 78927184
2-[(3-methylphenoxy)methyl]-N-phenylmorpholine-4-carboxamide
CID 46059378
(3S,4R)-3,4-dihydroxy-N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 79411041
3-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]benzoic acid
CID 81204204
2-ethyl-N-(4-methylphenyl)morpholine-4-carboxamide
CID 42884313
2-ethyl-N-(3-phenoxyphenyl)morpholine-4-carboxamide
CID 75405540
[2-(aminomethyl)morpholin-4-yl]-(2-bromo-3-methylphenyl)methanone
CID 107983238
N-(3-methylphenyl)-3-[3-oxo-3-(oxolan-2-ylmethylamino)propyl]piperidine-1-carboxamide
CID 53138083
[2-(aminomethyl)morpholin-4-yl]-(2,4,6-trimethylphenyl)methanone
CID 61336812
2-(hydroxymethyl)-N-(3-nitrophenyl)morpholine-4-carboxamide
CID 79831809
2-[(dimethylamino)methyl]-N-[3-(methylcarbamoyl)phenyl]morpholine-4-carboxamide
CID 154798666
(2S)-N-(3-benzamidophenyl)-2-[(dimethylamino)methyl]morpholine-4-carboxamide
CID 164634604

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(3-methylphenyl)morpholine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(3-methylphenyl)morpholine-4-carboxamide (CID 61337014) is 2-(aminomethyl)-N-(3-methylphenyl)morpholine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(3-methylphenyl)morpholine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(3-methylphenyl)morpholine-4-carboxamide is Cc1cccc(NC(=O)N2CCOC(CN)C2)c1.
What is the InChIKey of 2-(aminomethyl)-N-(3-methylphenyl)morpholine-4-carboxamide?
The InChIKey is IPKWRSMVYXMOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10-3-2-4-11(7-10)15-13(17)16-5-6-18-12(8-14)9-16/h2-4,7,12H,5-6,8-9,14H2,1H3,(H,15,17).
What are the key properties of 2-(aminomethyl)-N-(3-methylphenyl)morpholine-4-carboxamide?
2-(aminomethyl)-N-(3-methylphenyl)morpholine-4-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(3-methylphenyl)morpholine-4-carboxamide is sourced from PubChem (CID 61337014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).