N'-[(3,5-difluorophenyl)methyl]-N'-propan-2-ylpropane-1,3-diamine

C13H20F2N2 — CID 105402796

IUPACN'-[(3,5-difluorophenyl)methyl]-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(C)N(CCCN)Cc1cc(F)cc(F)c1
InChIInChI=1S/C13H20F2N2/c1-10(2)17(5-3-4-16)9-11-6-12(14)8-13(15)7-11/h6-8,10H,3-5,9,16H2,1-2H3
InChIKeyVQVOLDYLDAYENI-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.52
Rot. Bonds6

About N'-[(3,5-difluorophenyl)methyl]-N'-propan-2-ylpropane-1,3-diamine

N'-[(3,5-difluorophenyl)methyl]-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 105402796) has the molecular formula C13H20F2N2 and a molecular weight of 242.31 g/mol. Its IUPAC name is N'-[(3,5-difluorophenyl)methyl]-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(3,5-difluorophenyl)methyl]-N'-propan-2-ylpropane-1,3-diamine
PubChem CID105402796
Molecular FormulaC13H20F2N2
Molecular Weight242.31 g/mol
Exact Mass242.16
IUPAC NameN'-[(3,5-difluorophenyl)methyl]-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(C)N(CCCN)Cc1cc(F)cc(F)c1
InChIInChI=1S/C13H20F2N2/c1-10(2)17(5-3-4-16)9-11-6-12(14)8-13(15)7-11/h6-8,10H,3-5,9,16H2,1-2H3
InChIKeyVQVOLDYLDAYENI-UHFFFAOYSA-N
XLogP2.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N'-[(3,5-difluorophenyl)methyl]-N'-propan-2-ylpropane-1,3-diamine 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 N'-[(3,5-difluorophenyl)methyl]-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-[(3,5-difluorophenyl)methyl]-N'-propan-2-ylpropane-1,3-diamine (CID 105402796) is N'-[(3,5-difluorophenyl)methyl]-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-[(3,5-difluorophenyl)methyl]-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-[(3,5-difluorophenyl)methyl]-N'-propan-2-ylpropane-1,3-diamine is CC(C)N(CCCN)Cc1cc(F)cc(F)c1.
What is the InChIKey of N'-[(3,5-difluorophenyl)methyl]-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is VQVOLDYLDAYENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2/c1-10(2)17(5-3-4-16)9-11-6-12(14)8-13(15)7-11/h6-8,10H,3-5,9,16H2,1-2H3.
What are the key properties of N'-[(3,5-difluorophenyl)methyl]-N'-propan-2-ylpropane-1,3-diamine?
N'-[(3,5-difluorophenyl)methyl]-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 242.31 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3,5-difluorophenyl)methyl]-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 105402796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).