2-(aminomethyl)-N-(3-fluorophenyl)-6-methylmorpholine-4-carboxamide

C13H18FN3O2 — CID 102938478

IUPAC2-(aminomethyl)-N-(3-fluorophenyl)-6-methylmorpholine-4-carboxamide
SMILESCC1CN(C(=O)Nc2cccc(F)c2)CC(CN)O1
InChIInChI=1S/C13H18FN3O2/c1-9-7-17(8-12(6-15)19-9)13(18)16-11-4-2-3-10(14)5-11/h2-5,9,12H,6-8,15H2,1H3,(H,16,18)
InChIKeyPMOLGBAWKFFXTD-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.41
Rot. Bonds2

About 2-(aminomethyl)-N-(3-fluorophenyl)-6-methylmorpholine-4-carboxamide

2-(aminomethyl)-N-(3-fluorophenyl)-6-methylmorpholine-4-carboxamide (PubChem CID 102938478) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3-fluorophenyl)-6-methylmorpholine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(3-fluorophenyl)-6-methylmorpholine-4-carboxamide
PubChem CID102938478
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name2-(aminomethyl)-N-(3-fluorophenyl)-6-methylmorpholine-4-carboxamide
SMILESCC1CN(C(=O)Nc2cccc(F)c2)CC(CN)O1
InChIInChI=1S/C13H18FN3O2/c1-9-7-17(8-12(6-15)19-9)13(18)16-11-4-2-3-10(14)5-11/h2-5,9,12H,6-8,15H2,1H3,(H,16,18)
InChIKeyPMOLGBAWKFFXTD-UHFFFAOYSA-N
XLogP1.41
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(3-fluorophenyl)azetidine-1-carboxamide;hydrochloride
CID 139034966
(2S,6S)-N-(3-acetylphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 969916
(2R,6R)-N-(3-chlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 41097571
2-[4-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(3-fluorophenyl)acetamide
CID 8690487
(2S,6S)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 41097584
(2S,6R)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 42545481
N-(3,4-dimethylphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 4570981
2-(aminomethyl)-N-(3-methylphenyl)morpholine-4-carboxamide
CID 61337014
N-(3,4-dichlorophenyl)-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide
CID 102934811
(2R,6S)-N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]phenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 51983955
(3S)-N-(3-fluorophenyl)-3-(methylamino)pyrrolidine-1-carboxamide
CID 172646365
N-(3-fluorophenyl)-3-(N-methylanilino)azetidine-1-carboxamide
CID 23140545

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(3-fluorophenyl)-6-methylmorpholine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(3-fluorophenyl)-6-methylmorpholine-4-carboxamide (CID 102938478) is 2-(aminomethyl)-N-(3-fluorophenyl)-6-methylmorpholine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(3-fluorophenyl)-6-methylmorpholine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(3-fluorophenyl)-6-methylmorpholine-4-carboxamide is CC1CN(C(=O)Nc2cccc(F)c2)CC(CN)O1.
What is the InChIKey of 2-(aminomethyl)-N-(3-fluorophenyl)-6-methylmorpholine-4-carboxamide?
The InChIKey is PMOLGBAWKFFXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-9-7-17(8-12(6-15)19-9)13(18)16-11-4-2-3-10(14)5-11/h2-5,9,12H,6-8,15H2,1H3,(H,16,18).
What are the key properties of 2-(aminomethyl)-N-(3-fluorophenyl)-6-methylmorpholine-4-carboxamide?
2-(aminomethyl)-N-(3-fluorophenyl)-6-methylmorpholine-4-carboxamide has a molecular weight of 267.30 g/mol, XLogP of 1.41, 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-fluorophenyl)-6-methylmorpholine-4-carboxamide is sourced from PubChem (CID 102938478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).