2-(2,3-difluorophenyl)-N'-methylpropane-1,3-diamine

C10H14F2N2 — CID 20546582

IUPAC2-(2,3-difluorophenyl)-N'-methylpropane-1,3-diamine
SMILESCNCC(CN)c1cccc(F)c1F
InChIInChI=1S/C10H14F2N2/c1-14-6-7(5-13)8-3-2-4-9(11)10(8)12/h2-4,7,14H,5-6,13H2,1H3
InChIKeyGVHOXGNGVRRYJU-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.23
Rot. Bonds4

About 2-(2,3-difluorophenyl)-N'-methylpropane-1,3-diamine

2-(2,3-difluorophenyl)-N'-methylpropane-1,3-diamine (PubChem CID 20546582) has the molecular formula C10H14F2N2 and a molecular weight of 200.23 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-N'-methylpropane-1,3-diamine
PubChem CID20546582
Molecular FormulaC10H14F2N2
Molecular Weight200.23 g/mol
Exact Mass200.11
IUPAC Name2-(2,3-difluorophenyl)-N'-methylpropane-1,3-diamine
SMILESCNCC(CN)c1cccc(F)c1F
InChIInChI=1S/C10H14F2N2/c1-14-6-7(5-13)8-3-2-4-9(11)10(8)12/h2-4,7,14H,5-6,13H2,1H3
InChIKeyGVHOXGNGVRRYJU-UHFFFAOYSA-N
XLogP1.23
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2,3-difluorophenyl)-N'-methylpropane-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

Related Compounds

2-(2,3-difluorophenyl)butan-1-amine
CID 130760393
N'-methyl-2-(2-methylsulfanylphenyl)propane-1,3-diamine
CID 20546579
methyl 4-amino-3-(2,3-difluorophenyl)butanoate
CID 66096205
N'-methyl-2-(2-propan-2-ylphenyl)propane-1,3-diamine
CID 20546207
2-[1-amino-3-(methylamino)propan-2-yl]phenol
CID 20546109
3-(2,3-difluorophenyl)-2-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79439526
3-(2,3-difluorophenyl)-N-methyl-2-(2-methylphenyl)propan-1-amine
CID 79421092
(1S)-1-(2,3-difluorophenyl)propane-1,3-diamine
CID 130986814
3-(2,6-difluorophenyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine
CID 114933725
2-[2,6-bis(methylsulfinyl)phenyl]-N'-methylpropane-1,3-diamine
CID 20546354
[(1R)-1-(2,3-difluorophenyl)ethyl]hydrazine
CID 124510602
2-[(2,6-difluorophenyl)methyl]-N-methylbutan-1-amine
CID 114933384

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-N'-methylpropane-1,3-diamine?
The IUPAC name of 2-(2,3-difluorophenyl)-N'-methylpropane-1,3-diamine (CID 20546582) is 2-(2,3-difluorophenyl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for 2-(2,3-difluorophenyl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for 2-(2,3-difluorophenyl)-N'-methylpropane-1,3-diamine is CNCC(CN)c1cccc(F)c1F.
What is the InChIKey of 2-(2,3-difluorophenyl)-N'-methylpropane-1,3-diamine?
The InChIKey is GVHOXGNGVRRYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2/c1-14-6-7(5-13)8-3-2-4-9(11)10(8)12/h2-4,7,14H,5-6,13H2,1H3.
What are the key properties of 2-(2,3-difluorophenyl)-N'-methylpropane-1,3-diamine?
2-(2,3-difluorophenyl)-N'-methylpropane-1,3-diamine has a molecular weight of 200.23 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 20546582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).