N-(2,5-difluorophenyl)-N'-propan-2-ylethane-1,2-diamine

C11H16F2N2 — CID 115206228

IUPACN-(2,5-difluorophenyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCCNc1cc(F)ccc1F
InChIInChI=1S/C11H16F2N2/c1-8(2)14-5-6-15-11-7-9(12)3-4-10(11)13/h3-4,7-8,14-15H,5-6H2,1-2H3
InChIKeyWDKISGJUNKNOTN-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.37
Rot. Bonds5

About N-(2,5-difluorophenyl)-N'-propan-2-ylethane-1,2-diamine

N-(2,5-difluorophenyl)-N'-propan-2-ylethane-1,2-diamine (PubChem CID 115206228) has the molecular formula C11H16F2N2 and a molecular weight of 214.26 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-N'-propan-2-ylethane-1,2-diamine
PubChem CID115206228
Molecular FormulaC11H16F2N2
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC NameN-(2,5-difluorophenyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCCNc1cc(F)ccc1F
InChIInChI=1S/C11H16F2N2/c1-8(2)14-5-6-15-11-7-9(12)3-4-10(11)13/h3-4,7-8,14-15H,5-6H2,1-2H3
InChIKeyWDKISGJUNKNOTN-UHFFFAOYSA-N
XLogP2.37
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2,5-difluorophenyl)-N'-propan-2-ylethane-1,2-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

2,5-difluoro-N-(3-methylbutan-2-yl)aniline
CID 43192572
2,5-difluoro-N-(2-methoxyethyl)aniline
CID 28574542
2,5-difluoro-N-hexylaniline
CID 28877091
3-(2,5-difluoroanilino)-2-methylpropanenitrile
CID 43367507
N-(2,4-dichlorophenyl)-N'-propan-2-ylethane-1,2-diamine
CID 54806248
1,4-difluoro-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]benzene
CID 106058043
N-(3-chloro-4-fluorophenyl)-N'-propan-2-ylethane-1,2-diamine
CID 54809625
2-[(2,5-difluoroanilino)methyl]-3-methylbutan-1-ol
CID 115251833
methyl 4-(2,5-difluoroanilino)butanoate
CID 43377845
3-(2,5-difluoroanilino)-2-methylbutan-2-ol
CID 65332839
methyl 6-(2,5-difluoroanilino)hexanoate
CID 82538918
methyl 2-[(2,5-difluoroanilino)methyl]-3-methylbutanoate
CID 115253297

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-(2,5-difluorophenyl)-N'-propan-2-ylethane-1,2-diamine (CID 115206228) is N-(2,5-difluorophenyl)-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-(2,5-difluorophenyl)-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-(2,5-difluorophenyl)-N'-propan-2-ylethane-1,2-diamine is CC(C)NCCNc1cc(F)ccc1F.
What is the InChIKey of N-(2,5-difluorophenyl)-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is WDKISGJUNKNOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2/c1-8(2)14-5-6-15-11-7-9(12)3-4-10(11)13/h3-4,7-8,14-15H,5-6H2,1-2H3.
What are the key properties of N-(2,5-difluorophenyl)-N'-propan-2-ylethane-1,2-diamine?
N-(2,5-difluorophenyl)-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 214.26 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 115206228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).