N-[2,6-difluoro-4-(methylaminomethyl)phenyl]-N,2-dimethyloxolan-3-amine

C14H20F2N2O — CID 82742641

IUPACN-[2,6-difluoro-4-(methylaminomethyl)phenyl]-N,2-dimethyloxolan-3-amine
SMILESCNCc1cc(F)c(N(C)C2CCOC2C)c(F)c1
InChIInChI=1S/C14H20F2N2O/c1-9-13(4-5-19-9)18(3)14-11(15)6-10(8-17-2)7-12(14)16/h6-7,9,13,17H,4-5,8H2,1-3H3
InChIKeyFWIFKRQCEAPYDQ-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.30
Rot. Bonds4

About N-[2,6-difluoro-4-(methylaminomethyl)phenyl]-N,2-dimethyloxolan-3-amine

N-[2,6-difluoro-4-(methylaminomethyl)phenyl]-N,2-dimethyloxolan-3-amine (PubChem CID 82742641) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is N-[2,6-difluoro-4-(methylaminomethyl)phenyl]-N,2-dimethyloxolan-3-amine.

Molecular Properties

Compound NameN-[2,6-difluoro-4-(methylaminomethyl)phenyl]-N,2-dimethyloxolan-3-amine
PubChem CID82742641
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC NameN-[2,6-difluoro-4-(methylaminomethyl)phenyl]-N,2-dimethyloxolan-3-amine
SMILESCNCc1cc(F)c(N(C)C2CCOC2C)c(F)c1
InChIInChI=1S/C14H20F2N2O/c1-9-13(4-5-19-9)18(3)14-11(15)6-10(8-17-2)7-12(14)16/h6-7,9,13,17H,4-5,8H2,1-3H3
InChIKeyFWIFKRQCEAPYDQ-UHFFFAOYSA-N
XLogP2.30
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N,2-dimethyl-N-[4-(methylaminomethyl)phenyl]oxolan-3-amine
CID 82742719
2-fluoro-N-methyl-4-(methylaminomethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82748477
2-fluoro-N-methyl-5-(methylaminomethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82749260
N-[3-(ethylaminomethyl)-5-fluorophenyl]-N,2-dimethyloxolan-3-amine
CID 106532973
N-methyl-4-(methylaminomethyl)-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide
CID 82744478
N-[2-[(1R)-1-aminoethyl]-6-fluorophenyl]-N,2-dimethyloxolan-3-amine
CID 114058774
1-[3-fluoro-2-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanol
CID 114059222
N-ethyl-2,6-difluoro-4-(methylaminomethyl)-N-(oxolan-2-ylmethyl)aniline
CID 63076269
5-(2-aminoethyl)-N-methyl-N-(2-methyloxolan-3-yl)pyrimidin-2-amine
CID 113388563
2,6-difluoro-4-[[(2-methyloxolan-3-yl)methylamino]methyl]phenol
CID 114104967
5-[(tert-butylamino)methyl]-N,3-dimethyl-N-(2-methyloxolan-3-yl)pyridin-2-amine
CID 82730336
N,2-dimethyl-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]oxolan-3-amine
CID 82754072

Frequently Asked Questions

What is the IUPAC name of N-[2,6-difluoro-4-(methylaminomethyl)phenyl]-N,2-dimethyloxolan-3-amine?
The IUPAC name of N-[2,6-difluoro-4-(methylaminomethyl)phenyl]-N,2-dimethyloxolan-3-amine (CID 82742641) is N-[2,6-difluoro-4-(methylaminomethyl)phenyl]-N,2-dimethyloxolan-3-amine.
What is the SMILES notation for N-[2,6-difluoro-4-(methylaminomethyl)phenyl]-N,2-dimethyloxolan-3-amine?
The canonical SMILES for N-[2,6-difluoro-4-(methylaminomethyl)phenyl]-N,2-dimethyloxolan-3-amine is CNCc1cc(F)c(N(C)C2CCOC2C)c(F)c1.
What is the InChIKey of N-[2,6-difluoro-4-(methylaminomethyl)phenyl]-N,2-dimethyloxolan-3-amine?
The InChIKey is FWIFKRQCEAPYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-9-13(4-5-19-9)18(3)14-11(15)6-10(8-17-2)7-12(14)16/h6-7,9,13,17H,4-5,8H2,1-3H3.
What are the key properties of N-[2,6-difluoro-4-(methylaminomethyl)phenyl]-N,2-dimethyloxolan-3-amine?
N-[2,6-difluoro-4-(methylaminomethyl)phenyl]-N,2-dimethyloxolan-3-amine has a molecular weight of 270.32 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-difluoro-4-(methylaminomethyl)phenyl]-N,2-dimethyloxolan-3-amine is sourced from PubChem (CID 82742641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).