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

C17H17F2NO2 — CID 138047975

IUPAC1-(3,4-difluorophenyl)-N-[[2-(1,3-dioxolan-2-yl)phenyl]methyl]methanamine
SMILESFc1ccc(CNCc2ccccc2C2OCCO2)cc1F
InChIInChI=1S/C17H17F2NO2/c18-15-6-5-12(9-16(15)19)10-20-11-13-3-1-2-4-14(13)17-21-7-8-22-17/h1-6,9,17,20H,7-8,10-11H2
InChIKeyYOFHRGSTVLLZCC-UHFFFAOYSA-N
MW305.32 g/mol
LogP3.30
Rot. Bonds5

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

1-(3,4-difluorophenyl)-N-[[2-(1,3-dioxolan-2-yl)phenyl]methyl]methanamine (PubChem CID 138047975) has the molecular formula C17H17F2NO2 and a molecular weight of 305.32 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-[[2-(1,3-dioxolan-2-yl)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-[[2-(1,3-dioxolan-2-yl)phenyl]methyl]methanamine
PubChem CID138047975
Molecular FormulaC17H17F2NO2
Molecular Weight305.32 g/mol
Exact Mass305.12
IUPAC Name1-(3,4-difluorophenyl)-N-[[2-(1,3-dioxolan-2-yl)phenyl]methyl]methanamine
SMILESFc1ccc(CNCc2ccccc2C2OCCO2)cc1F
InChIInChI=1S/C17H17F2NO2/c18-15-6-5-12(9-16(15)19)10-20-11-13-3-1-2-4-14(13)17-21-7-8-22-17/h1-6,9,17,20H,7-8,10-11H2
InChIKeyYOFHRGSTVLLZCC-UHFFFAOYSA-N
XLogP3.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-difluorophenyl)-N-[[2-(1,3-dioxolan-2-yl)phenyl]methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-[[2-(1,3-dioxolan-2-yl)phenyl]methyl]methanamine?
The IUPAC name of 1-(3,4-difluorophenyl)-N-[[2-(1,3-dioxolan-2-yl)phenyl]methyl]methanamine (CID 138047975) is 1-(3,4-difluorophenyl)-N-[[2-(1,3-dioxolan-2-yl)phenyl]methyl]methanamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-[[2-(1,3-dioxolan-2-yl)phenyl]methyl]methanamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-[[2-(1,3-dioxolan-2-yl)phenyl]methyl]methanamine is Fc1ccc(CNCc2ccccc2C2OCCO2)cc1F.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-[[2-(1,3-dioxolan-2-yl)phenyl]methyl]methanamine?
The InChIKey is YOFHRGSTVLLZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO2/c18-15-6-5-12(9-16(15)19)10-20-11-13-3-1-2-4-14(13)17-21-7-8-22-17/h1-6,9,17,20H,7-8,10-11H2.
What are the key properties of 1-(3,4-difluorophenyl)-N-[[2-(1,3-dioxolan-2-yl)phenyl]methyl]methanamine?
1-(3,4-difluorophenyl)-N-[[2-(1,3-dioxolan-2-yl)phenyl]methyl]methanamine has a molecular weight of 305.32 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-[[2-(1,3-dioxolan-2-yl)phenyl]methyl]methanamine is sourced from PubChem (CID 138047975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).