N-cyclopropyl-N'-[(2,4-difluorophenyl)methyl]-N'-methylethane-1,2-diamine

C13H18F2N2 — CID 62195867

IUPACN-cyclopropyl-N'-[(2,4-difluorophenyl)methyl]-N'-methylethane-1,2-diamine
SMILESCN(CCNC1CC1)Cc1ccc(F)cc1F
InChIInChI=1S/C13H18F2N2/c1-17(7-6-16-12-4-5-12)9-10-2-3-11(14)8-13(10)15/h2-3,8,12,16H,4-7,9H2,1H3
InChIKeyHWMHYGZTVZUNEL-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.15
Rot. Bonds6

About N-cyclopropyl-N'-[(2,4-difluorophenyl)methyl]-N'-methylethane-1,2-diamine

N-cyclopropyl-N'-[(2,4-difluorophenyl)methyl]-N'-methylethane-1,2-diamine (PubChem CID 62195867) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is N-cyclopropyl-N'-[(2,4-difluorophenyl)methyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-[(2,4-difluorophenyl)methyl]-N'-methylethane-1,2-diamine
PubChem CID62195867
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC NameN-cyclopropyl-N'-[(2,4-difluorophenyl)methyl]-N'-methylethane-1,2-diamine
SMILESCN(CCNC1CC1)Cc1ccc(F)cc1F
InChIInChI=1S/C13H18F2N2/c1-17(7-6-16-12-4-5-12)9-10-2-3-11(14)8-13(10)15/h2-3,8,12,16H,4-7,9H2,1H3
InChIKeyHWMHYGZTVZUNEL-UHFFFAOYSA-N
XLogP2.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-cyclopropyl-N'-[(2,4-difluorophenyl)methyl]-N'-methylethane-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

N'-[(2-bromo-5-fluorophenyl)methyl]-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 113409156
N-cyclopropyl-N'-[(2,4-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 55002903
N-cyclopropyl-N'-[(2,5-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 65317346
N'-[(2-bromo-4-chlorophenyl)methyl]-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 107987676
N'-[(4-bromo-2-chlorophenyl)methyl]-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 113409176
[(2,4-difluorophenyl)methyl-methylamino]methanol
CID 115229150
N-cyclopropyl-N'-methyl-N'-(naphthalen-1-ylmethyl)ethane-1,2-diamine
CID 55002950
1-cyclopropyl-2-[(2,4-difluorophenyl)methyl-methylamino]ethanol
CID 111977227
N-cyclopropyl-N'-methyl-N'-(pyridazin-4-ylmethyl)ethane-1,2-diamine
CID 104670235
4-N-[(2,4-difluorophenyl)methyl]cyclohexane-1,4-diamine
CID 62313669
N'-[(4-bromophenyl)methyl]-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 63503276
1-N-[(2,4-difluorophenyl)methyl]-1-N,4-dimethylpentane-1,3-diamine
CID 81490420

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-[(2,4-difluorophenyl)methyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-N'-[(2,4-difluorophenyl)methyl]-N'-methylethane-1,2-diamine (CID 62195867) is N-cyclopropyl-N'-[(2,4-difluorophenyl)methyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-N'-[(2,4-difluorophenyl)methyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-N'-[(2,4-difluorophenyl)methyl]-N'-methylethane-1,2-diamine is CN(CCNC1CC1)Cc1ccc(F)cc1F.
What is the InChIKey of N-cyclopropyl-N'-[(2,4-difluorophenyl)methyl]-N'-methylethane-1,2-diamine?
The InChIKey is HWMHYGZTVZUNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2/c1-17(7-6-16-12-4-5-12)9-10-2-3-11(14)8-13(10)15/h2-3,8,12,16H,4-7,9H2,1H3.
What are the key properties of N-cyclopropyl-N'-[(2,4-difluorophenyl)methyl]-N'-methylethane-1,2-diamine?
N-cyclopropyl-N'-[(2,4-difluorophenyl)methyl]-N'-methylethane-1,2-diamine has a molecular weight of 240.30 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-[(2,4-difluorophenyl)methyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62195867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).