[2-(aminomethyl)-6-methylmorpholin-4-yl]-[3-(difluoromethoxy)phenyl]methanone

C14H18F2N2O3 — CID 102938275

IUPAC[2-(aminomethyl)-6-methylmorpholin-4-yl]-[3-(difluoromethoxy)phenyl]methanone
SMILESCC1CN(C(=O)c2cccc(OC(F)F)c2)CC(CN)O1
InChIInChI=1S/C14H18F2N2O3/c1-9-7-18(8-12(6-17)20-9)13(19)10-3-2-4-11(5-10)21-14(15)16/h2-5,9,12,14H,6-8,17H2,1H3
InChIKeyMWVXDQXXMDWEHV-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.48
Rot. Bonds4

About [2-(aminomethyl)-6-methylmorpholin-4-yl]-[3-(difluoromethoxy)phenyl]methanone

[2-(aminomethyl)-6-methylmorpholin-4-yl]-[3-(difluoromethoxy)phenyl]methanone (PubChem CID 102938275) has the molecular formula C14H18F2N2O3 and a molecular weight of 300.31 g/mol. Its IUPAC name is [2-(aminomethyl)-6-methylmorpholin-4-yl]-[3-(difluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-6-methylmorpholin-4-yl]-[3-(difluoromethoxy)phenyl]methanone
PubChem CID102938275
Molecular FormulaC14H18F2N2O3
Molecular Weight300.31 g/mol
Exact Mass300.13
IUPAC Name[2-(aminomethyl)-6-methylmorpholin-4-yl]-[3-(difluoromethoxy)phenyl]methanone
SMILESCC1CN(C(=O)c2cccc(OC(F)F)c2)CC(CN)O1
InChIInChI=1S/C14H18F2N2O3/c1-9-7-18(8-12(6-17)20-9)13(19)10-3-2-4-11(5-10)21-14(15)16/h2-5,9,12,14H,6-8,17H2,1H3
InChIKeyMWVXDQXXMDWEHV-UHFFFAOYSA-N
XLogP1.48
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(aminomethyl)-6-methylmorpholin-4-yl]-(3-propoxyphenyl)methanone
CID 102938425
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-methoxyphenyl)methanone
CID 102937854
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(3,4-dihydroxyphenyl)methanone
CID 107727574
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(4-methoxyphenyl)methanone
CID 102938451
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(3,4-dimethoxyphenyl)methanone
CID 102938320
[3-(difluoromethoxy)phenyl]-(3-methylpiperidin-1-yl)methanone
CID 78783741
[3-(difluoromethoxy)phenyl]-(2,5-dimethylmorpholin-4-yl)methanone
CID 51077390
(2,6-dimethylmorpholin-4-yl)-(3-prop-2-enoxyphenyl)methanone
CID 2993576
[4-[3-(difluoromethoxy)benzoyl]-3-methylpiperazin-1-yl]-[3-(difluoromethoxy)phenyl]methanone
CID 112811910
[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-[3-(difluoromethoxy)phenyl]methanone
CID 102783612
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(2-fluoro-6-methoxyphenyl)methanone
CID 102938283
(2R,6R)-N-[[3-(difluoromethoxy)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide
CID 94387178

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-6-methylmorpholin-4-yl]-[3-(difluoromethoxy)phenyl]methanone?
The IUPAC name of [2-(aminomethyl)-6-methylmorpholin-4-yl]-[3-(difluoromethoxy)phenyl]methanone (CID 102938275) is [2-(aminomethyl)-6-methylmorpholin-4-yl]-[3-(difluoromethoxy)phenyl]methanone.
What is the SMILES notation for [2-(aminomethyl)-6-methylmorpholin-4-yl]-[3-(difluoromethoxy)phenyl]methanone?
The canonical SMILES for [2-(aminomethyl)-6-methylmorpholin-4-yl]-[3-(difluoromethoxy)phenyl]methanone is CC1CN(C(=O)c2cccc(OC(F)F)c2)CC(CN)O1.
What is the InChIKey of [2-(aminomethyl)-6-methylmorpholin-4-yl]-[3-(difluoromethoxy)phenyl]methanone?
The InChIKey is MWVXDQXXMDWEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O3/c1-9-7-18(8-12(6-17)20-9)13(19)10-3-2-4-11(5-10)21-14(15)16/h2-5,9,12,14H,6-8,17H2,1H3.
What are the key properties of [2-(aminomethyl)-6-methylmorpholin-4-yl]-[3-(difluoromethoxy)phenyl]methanone?
[2-(aminomethyl)-6-methylmorpholin-4-yl]-[3-(difluoromethoxy)phenyl]methanone has a molecular weight of 300.31 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-6-methylmorpholin-4-yl]-[3-(difluoromethoxy)phenyl]methanone is sourced from PubChem (CID 102938275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).