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

C16H18F2N2 — CID 62197006

IUPACN'-benzyl-N'-[(2,4-difluorophenyl)methyl]ethane-1,2-diamine
SMILESNCCN(Cc1ccccc1)Cc1ccc(F)cc1F
InChIInChI=1S/C16H18F2N2/c17-15-7-6-14(16(18)10-15)12-20(9-8-19)11-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12,19H2
InChIKeyJODXVSVKOYQBFQ-UHFFFAOYSA-N
MW276.33 g/mol
LogP2.93
Rot. Bonds6

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

N'-benzyl-N'-[(2,4-difluorophenyl)methyl]ethane-1,2-diamine (PubChem CID 62197006) has the molecular formula C16H18F2N2 and a molecular weight of 276.33 g/mol. Its IUPAC name is N'-benzyl-N'-[(2,4-difluorophenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-[(2,4-difluorophenyl)methyl]ethane-1,2-diamine
PubChem CID62197006
Molecular FormulaC16H18F2N2
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC NameN'-benzyl-N'-[(2,4-difluorophenyl)methyl]ethane-1,2-diamine
SMILESNCCN(Cc1ccccc1)Cc1ccc(F)cc1F
InChIInChI=1S/C16H18F2N2/c17-15-7-6-14(16(18)10-15)12-20(9-8-19)11-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12,19H2
InChIKeyJODXVSVKOYQBFQ-UHFFFAOYSA-N
XLogP2.93
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(2,4-difluorophenyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120871833
N-benzyl-2-chloro-N-[(2,4-difluorophenyl)methyl]ethanamine
CID 63389209
2-[[2-aminoethyl(benzyl)amino]methyl]-5-fluorobenzonitrile
CID 106511586
N'-benzyl-N'-[(2-bromo-4-fluorophenyl)methyl]propane-1,3-diamine
CID 107367498
N'-benzyl-N'-[(2-bromo-5-fluorophenyl)methyl]propane-1,3-diamine
CID 107366867
N',N'-dibenzylethane-1,2-diamine;hydrochloride
CID 6460674
N',N'-dibenzylethane-1,2-diamine;ethenamine
CID 67896793
N-benzyl-2-bromo-N-[(4-chloro-2-fluorophenyl)methyl]ethanamine
CID 114859350
N-benzyl-2-bromo-N-[(2-chloro-4-fluorophenyl)methyl]ethanamine
CID 80679116
N-benzyl-2-bromo-N-[(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 114349155
N'-[(4-fluorophenyl)methyl]-N'-[(3-phenoxyphenyl)methyl]ethane-1,2-diamine
CID 23959578
N-[(2,5-difluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3-phenylpropan-1-amine
CID 23965353

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-[(2,4-difluorophenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-benzyl-N'-[(2,4-difluorophenyl)methyl]ethane-1,2-diamine (CID 62197006) is N'-benzyl-N'-[(2,4-difluorophenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N'-[(2,4-difluorophenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N'-[(2,4-difluorophenyl)methyl]ethane-1,2-diamine is NCCN(Cc1ccccc1)Cc1ccc(F)cc1F.
What is the InChIKey of N'-benzyl-N'-[(2,4-difluorophenyl)methyl]ethane-1,2-diamine?
The InChIKey is JODXVSVKOYQBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2/c17-15-7-6-14(16(18)10-15)12-20(9-8-19)11-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12,19H2.
What are the key properties of N'-benzyl-N'-[(2,4-difluorophenyl)methyl]ethane-1,2-diamine?
N'-benzyl-N'-[(2,4-difluorophenyl)methyl]ethane-1,2-diamine has a molecular weight of 276.33 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-[(2,4-difluorophenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 62197006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).