N-[(2,4-difluorophenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine

C13H20F2N2 — CID 113405469

IUPACN-[(2,4-difluorophenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CNCCNCc1ccc(F)cc1F
InChIInChI=1S/C13H20F2N2/c1-10(2)8-16-5-6-17-9-11-3-4-12(14)7-13(11)15/h3-4,7,10,16-17H,5-6,8-9H2,1-2H3
InChIKeyVDKGRWGDRLCEDH-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.30
Rot. Bonds7

About N-[(2,4-difluorophenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine

N-[(2,4-difluorophenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 113405469) has the molecular formula C13H20F2N2 and a molecular weight of 242.31 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
PubChem CID113405469
Molecular FormulaC13H20F2N2
Molecular Weight242.31 g/mol
Exact Mass242.16
IUPAC NameN-[(2,4-difluorophenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CNCCNCc1ccc(F)cc1F
InChIInChI=1S/C13H20F2N2/c1-10(2)8-16-5-6-17-9-11-3-4-12(14)7-13(11)15/h3-4,7,10,16-17H,5-6,8-9H2,1-2H3
InChIKeyVDKGRWGDRLCEDH-UHFFFAOYSA-N
XLogP2.30
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-3-propan-2-yloxypropan-1-amine
CID 28726567
1-(2,4-difluorophenyl)-2-methyl-4-(2-methylpropylamino)butan-2-ol
CID 66001676
N-[2-[(2,4-difluorophenyl)methylamino]ethyl]acetamide
CID 28684424
N-[(2-bromo-5-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 28566155
3-[(2,4-difluorophenyl)methylamino]propane-1,2-diol
CID 66174825
2-[[(2,4-difluorophenyl)methylamino]methyl]butan-1-ol
CID 115250791
2-N-[(2,4-difluorophenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 43751596
1-[(2,4-difluorophenyl)methylamino]propan-2-yl acetate
CID 82532955
N-[[2-(2,4-difluorophenoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63552912
N-[(2,4-difluorophenyl)methyl]-3-methylsulfinylpropan-1-amine
CID 115632808
N-[(2,4-difluorophenyl)methyl]butan-2-amine
CID 43177291
N'-[(2,4-difluorophenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 43182595

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine (CID 113405469) is N-[(2,4-difluorophenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine is CC(C)CNCCNCc1ccc(F)cc1F.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is VDKGRWGDRLCEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2/c1-10(2)8-16-5-6-17-9-11-3-4-12(14)7-13(11)15/h3-4,7,10,16-17H,5-6,8-9H2,1-2H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine?
N-[(2,4-difluorophenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 242.31 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 113405469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).