2-(difluoromethoxy)-N-[(4-methylmorpholin-2-yl)methyl]aniline

C13H18F2N2O2 — CID 79172188

IUPAC2-(difluoromethoxy)-N-[(4-methylmorpholin-2-yl)methyl]aniline
SMILESCN1CCOC(CNc2ccccc2OC(F)F)C1
InChIInChI=1S/C13H18F2N2O2/c1-17-6-7-18-10(9-17)8-16-11-4-2-3-5-12(11)19-13(14)15/h2-5,10,13,16H,6-9H2,1H3
InChIKeyASPUHDOHMLZXFI-UHFFFAOYSA-N
MW272.29 g/mol
LogP2.03
Rot. Bonds5

About 2-(difluoromethoxy)-N-[(4-methylmorpholin-2-yl)methyl]aniline

2-(difluoromethoxy)-N-[(4-methylmorpholin-2-yl)methyl]aniline (PubChem CID 79172188) has the molecular formula C13H18F2N2O2 and a molecular weight of 272.29 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[(4-methylmorpholin-2-yl)methyl]aniline.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-[(4-methylmorpholin-2-yl)methyl]aniline
PubChem CID79172188
Molecular FormulaC13H18F2N2O2
Molecular Weight272.29 g/mol
Exact Mass272.13
IUPAC Name2-(difluoromethoxy)-N-[(4-methylmorpholin-2-yl)methyl]aniline
SMILESCN1CCOC(CNc2ccccc2OC(F)F)C1
InChIInChI=1S/C13H18F2N2O2/c1-17-6-7-18-10(9-17)8-16-11-4-2-3-5-12(11)19-13(14)15/h2-5,10,13,16H,6-9H2,1H3
InChIKeyASPUHDOHMLZXFI-UHFFFAOYSA-N
XLogP2.03
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79172087
(E)-3-[2-(difluoromethoxy)phenyl]-N-[[(2R)-4-methylmorpholin-2-yl]methyl]prop-2-enamide
CID 94822453
2-[(4-methylmorpholin-2-yl)methylamino]benzonitrile
CID 78916182
(2S)-N-[2-(difluoromethoxy)phenyl]-2-ethylmorpholine-4-carboxamide
CID 95276927
2-chloro-6-[(4-methylmorpholin-2-yl)methylamino]benzoic acid
CID 79072368
(2R)-2-(2-chlorophenoxy)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]propanamide
CID 94815626
N-[2-(difluoromethoxy)phenyl]-1-methylpyrrolidin-3-amine
CID 62977442
5-chloro-2,4-dimethoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79172466
1-(2-methoxyphenyl)-N-[(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79083025
2,6-dimethoxy-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 110710223
CID 139465682
CID 139465682
N-[(4-methylmorpholin-2-yl)methyl]-1,2,4-benzotriazin-3-amine
CID 103204381

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-[(4-methylmorpholin-2-yl)methyl]aniline?
The IUPAC name of 2-(difluoromethoxy)-N-[(4-methylmorpholin-2-yl)methyl]aniline (CID 79172188) is 2-(difluoromethoxy)-N-[(4-methylmorpholin-2-yl)methyl]aniline.
What is the SMILES notation for 2-(difluoromethoxy)-N-[(4-methylmorpholin-2-yl)methyl]aniline?
The canonical SMILES for 2-(difluoromethoxy)-N-[(4-methylmorpholin-2-yl)methyl]aniline is CN1CCOC(CNc2ccccc2OC(F)F)C1.
What is the InChIKey of 2-(difluoromethoxy)-N-[(4-methylmorpholin-2-yl)methyl]aniline?
The InChIKey is ASPUHDOHMLZXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2/c1-17-6-7-18-10(9-17)8-16-11-4-2-3-5-12(11)19-13(14)15/h2-5,10,13,16H,6-9H2,1H3.
What are the key properties of 2-(difluoromethoxy)-N-[(4-methylmorpholin-2-yl)methyl]aniline?
2-(difluoromethoxy)-N-[(4-methylmorpholin-2-yl)methyl]aniline has a molecular weight of 272.29 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-[(4-methylmorpholin-2-yl)methyl]aniline is sourced from PubChem (CID 79172188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).