N-[4-(3,3-difluoroazetidin-1-yl)phenyl]-N-methyl-3,4-dihydro-2H-chromen-7-amine

C19H20F2N2O — CID 144986912

IUPACN-[4-(3,3-difluoroazetidin-1-yl)phenyl]-N-methyl-3,4-dihydro-2H-chromen-7-amine
SMILESCN(c1ccc(N2CC(F)(F)C2)cc1)c1ccc2c(c1)OCCC2
InChIInChI=1S/C19H20F2N2O/c1-22(17-5-4-14-3-2-10-24-18(14)11-17)15-6-8-16(9-7-15)23-12-19(20,21)13-23/h4-9,11H,2-3,10,12-13H2,1H3
InChIKeyQNSHNBGROFSYMY-UHFFFAOYSA-N
MW330.38 g/mol
LogP4.23
Rot. Bonds3

About N-[4-(3,3-difluoroazetidin-1-yl)phenyl]-N-methyl-3,4-dihydro-2H-chromen-7-amine

N-[4-(3,3-difluoroazetidin-1-yl)phenyl]-N-methyl-3,4-dihydro-2H-chromen-7-amine (PubChem CID 144986912) has the molecular formula C19H20F2N2O and a molecular weight of 330.38 g/mol. Its IUPAC name is N-[4-(3,3-difluoroazetidin-1-yl)phenyl]-N-methyl-3,4-dihydro-2H-chromen-7-amine.

Molecular Properties

Compound NameN-[4-(3,3-difluoroazetidin-1-yl)phenyl]-N-methyl-3,4-dihydro-2H-chromen-7-amine
PubChem CID144986912
Molecular FormulaC19H20F2N2O
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC NameN-[4-(3,3-difluoroazetidin-1-yl)phenyl]-N-methyl-3,4-dihydro-2H-chromen-7-amine
SMILESCN(c1ccc(N2CC(F)(F)C2)cc1)c1ccc2c(c1)OCCC2
InChIInChI=1S/C19H20F2N2O/c1-22(17-5-4-14-3-2-10-24-18(14)11-17)15-6-8-16(9-7-15)23-12-19(20,21)13-23/h4-9,11H,2-3,10,12-13H2,1H3
InChIKeyQNSHNBGROFSYMY-UHFFFAOYSA-N
XLogP4.23
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,3-difluoroazetidin-1-yl)phenyl]-N-methyl-3,4-dihydro-2H-chromen-7-amine?
The IUPAC name of N-[4-(3,3-difluoroazetidin-1-yl)phenyl]-N-methyl-3,4-dihydro-2H-chromen-7-amine (CID 144986912) is N-[4-(3,3-difluoroazetidin-1-yl)phenyl]-N-methyl-3,4-dihydro-2H-chromen-7-amine.
What is the SMILES notation for N-[4-(3,3-difluoroazetidin-1-yl)phenyl]-N-methyl-3,4-dihydro-2H-chromen-7-amine?
The canonical SMILES for N-[4-(3,3-difluoroazetidin-1-yl)phenyl]-N-methyl-3,4-dihydro-2H-chromen-7-amine is CN(c1ccc(N2CC(F)(F)C2)cc1)c1ccc2c(c1)OCCC2.
What is the InChIKey of N-[4-(3,3-difluoroazetidin-1-yl)phenyl]-N-methyl-3,4-dihydro-2H-chromen-7-amine?
The InChIKey is QNSHNBGROFSYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O/c1-22(17-5-4-14-3-2-10-24-18(14)11-17)15-6-8-16(9-7-15)23-12-19(20,21)13-23/h4-9,11H,2-3,10,12-13H2,1H3.
What are the key properties of N-[4-(3,3-difluoroazetidin-1-yl)phenyl]-N-methyl-3,4-dihydro-2H-chromen-7-amine?
N-[4-(3,3-difluoroazetidin-1-yl)phenyl]-N-methyl-3,4-dihydro-2H-chromen-7-amine has a molecular weight of 330.38 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,3-difluoroazetidin-1-yl)phenyl]-N-methyl-3,4-dihydro-2H-chromen-7-amine is sourced from PubChem (CID 144986912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).