N-[(2,4-difluorophenyl)methyl]-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine

C13H17F2NO2 — CID 107386170

IUPACN-[(2,4-difluorophenyl)methyl]-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine
SMILESCC1(C)OCC(CNCc2ccc(F)cc2F)O1
InChIInChI=1S/C13H17F2NO2/c1-13(2)17-8-11(18-13)7-16-6-9-3-4-10(14)5-12(9)15/h3-5,11,16H,6-8H2,1-2H3
InChIKeyLFYNYTFCZRPXCW-UHFFFAOYSA-N
MW257.28 g/mol
LogP2.21
Rot. Bonds4

About N-[(2,4-difluorophenyl)methyl]-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine

N-[(2,4-difluorophenyl)methyl]-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine (PubChem CID 107386170) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine
PubChem CID107386170
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC NameN-[(2,4-difluorophenyl)methyl]-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine
SMILESCC1(C)OCC(CNCc2ccc(F)cc2F)O1
InChIInChI=1S/C13H17F2NO2/c1-13(2)17-8-11(18-13)7-16-6-9-3-4-10(14)5-12(9)15/h3-5,11,16H,6-8H2,1-2H3
InChIKeyLFYNYTFCZRPXCW-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine (CID 107386170) is N-[(2,4-difluorophenyl)methyl]-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine is CC1(C)OCC(CNCc2ccc(F)cc2F)O1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine?
The InChIKey is LFYNYTFCZRPXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2/c1-13(2)17-8-11(18-13)7-16-6-9-3-4-10(14)5-12(9)15/h3-5,11,16H,6-8H2,1-2H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine?
N-[(2,4-difluorophenyl)methyl]-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine has a molecular weight of 257.28 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine is sourced from PubChem (CID 107386170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).