2-N-[(2,4-difluorophenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine

C15H24F2N2 — CID 43751596

IUPAC2-N-[(2,4-difluorophenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
SMILESCC(C)CC(CN(C)C)NCc1ccc(F)cc1F
InChIInChI=1S/C15H24F2N2/c1-11(2)7-14(10-19(3)4)18-9-12-5-6-13(16)8-15(12)17/h5-6,8,11,14,18H,7,9-10H2,1-4H3
InChIKeyPDTHFMCAUWGPOG-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.03
Rot. Bonds7

About 2-N-[(2,4-difluorophenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine

2-N-[(2,4-difluorophenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine (PubChem CID 43751596) has the molecular formula C15H24F2N2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-N-[(2,4-difluorophenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(2,4-difluorophenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
PubChem CID43751596
Molecular FormulaC15H24F2N2
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-N-[(2,4-difluorophenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
SMILESCC(C)CC(CN(C)C)NCc1ccc(F)cc1F
InChIInChI=1S/C15H24F2N2/c1-11(2)7-14(10-19(3)4)18-9-12-5-6-13(16)8-15(12)17/h5-6,8,11,14,18H,7,9-10H2,1-4H3
InChIKeyPDTHFMCAUWGPOG-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[(3-fluorophenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 43751604
2-N-[(3-fluoro-4-methylphenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 63646229
N-[(2,4-difluorophenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405469
N-[(2,4-difluorophenyl)methyl]butan-2-amine
CID 43177291
1-(2,4-difluorophenyl)-N-[(2,4-difluorophenyl)methyl]ethanamine
CID 43221741
1-N,1-N,4-trimethyl-2-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pentane-1,2-diamine
CID 62472955
N-[(2,4-difluorophenyl)methyl]pentan-2-amine
CID 43177713
2-N-[(4-bromo-2-nitrophenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 114381198
2-N-[(5-fluoro-2-methylphenyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 115968005
2-[[[1-(dimethylamino)-4-methylpentan-2-yl]amino]methyl]-4-methoxyphenol
CID 43751533
N-[(2,4-difluorophenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43221166
2-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 102876592

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2,4-difluorophenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine?
The IUPAC name of 2-N-[(2,4-difluorophenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine (CID 43751596) is 2-N-[(2,4-difluorophenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine.
What is the SMILES notation for 2-N-[(2,4-difluorophenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine?
The canonical SMILES for 2-N-[(2,4-difluorophenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine is CC(C)CC(CN(C)C)NCc1ccc(F)cc1F.
What is the InChIKey of 2-N-[(2,4-difluorophenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine?
The InChIKey is PDTHFMCAUWGPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2N2/c1-11(2)7-14(10-19(3)4)18-9-12-5-6-13(16)8-15(12)17/h5-6,8,11,14,18H,7,9-10H2,1-4H3.
What are the key properties of 2-N-[(2,4-difluorophenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine?
2-N-[(2,4-difluorophenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine has a molecular weight of 270.37 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2,4-difluorophenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine is sourced from PubChem (CID 43751596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).