N'-[(2,5-difluoro-4-methoxyphenyl)methyl]-N-ethylethane-1,2-diamine

C12H18F2N2O — CID 115205877

IUPACN'-[(2,5-difluoro-4-methoxyphenyl)methyl]-N-ethylethane-1,2-diamine
SMILESCCNCCNCc1cc(F)c(OC)cc1F
InChIInChI=1S/C12H18F2N2O/c1-3-15-4-5-16-8-9-6-11(14)12(17-2)7-10(9)13/h6-7,15-16H,3-5,8H2,1-2H3
InChIKeyKPUAPGJTCJMAEW-UHFFFAOYSA-N
MW244.28 g/mol
LogP1.67
Rot. Bonds7

About N'-[(2,5-difluoro-4-methoxyphenyl)methyl]-N-ethylethane-1,2-diamine

N'-[(2,5-difluoro-4-methoxyphenyl)methyl]-N-ethylethane-1,2-diamine (PubChem CID 115205877) has the molecular formula C12H18F2N2O and a molecular weight of 244.28 g/mol. Its IUPAC name is N'-[(2,5-difluoro-4-methoxyphenyl)methyl]-N-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2,5-difluoro-4-methoxyphenyl)methyl]-N-ethylethane-1,2-diamine
PubChem CID115205877
Molecular FormulaC12H18F2N2O
Molecular Weight244.28 g/mol
Exact Mass244.14
IUPAC NameN'-[(2,5-difluoro-4-methoxyphenyl)methyl]-N-ethylethane-1,2-diamine
SMILESCCNCCNCc1cc(F)c(OC)cc1F
InChIInChI=1S/C12H18F2N2O/c1-3-15-4-5-16-8-9-6-11(14)12(17-2)7-10(9)13/h6-7,15-16H,3-5,8H2,1-2H3
InChIKeyKPUAPGJTCJMAEW-UHFFFAOYSA-N
XLogP1.67
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,5-difluoro-4-methoxyphenyl)methylhydrazine
CID 116932362
N-ethyl-N'-[(2-methoxy-4,5-dimethylphenyl)methyl]ethane-1,2-diamine
CID 115205818
3-[[(2,5-difluoro-4-methoxyphenyl)methylamino]methyl]cyclobutan-1-amine
CID 115214125
3-[(2,5-difluoro-4-methoxyphenyl)methylamino]-2-methylpropanoic acid
CID 115219467
N'-[(5-bromo-2-methoxyphenyl)methyl]-N-ethylethane-1,2-diamine
CID 115205817
2-[2-(2,5-difluoro-4-methoxyphenyl)ethylamino]acetaldehyde
CID 115223282
N'-[(5-tert-butyl-2-methoxyphenyl)methyl]-N-ethylethane-1,2-diamine
CID 115205811
2-N-[(2,5-difluoro-4-methoxyphenyl)methyl]-2-methylpropane-1,2-diamine
CID 115131971
3-(2,5-difluoro-4-methoxyphenyl)propanal
CID 73014070
N-[[5-(3,4-dimethoxyphenyl)-2-fluorophenyl]methyl]ethanamine
CID 61026053
3-[(2,5-difluoro-4-methoxyphenyl)methylamino]-3-oxopropanoic acid
CID 115163429
N-[(2,5-difluoro-4-methoxyphenyl)methyl]-2,2,2-trifluoroacetamide
CID 115190275

Frequently Asked Questions

What is the IUPAC name of N'-[(2,5-difluoro-4-methoxyphenyl)methyl]-N-ethylethane-1,2-diamine?
The IUPAC name of N'-[(2,5-difluoro-4-methoxyphenyl)methyl]-N-ethylethane-1,2-diamine (CID 115205877) is N'-[(2,5-difluoro-4-methoxyphenyl)methyl]-N-ethylethane-1,2-diamine.
What is the SMILES notation for N'-[(2,5-difluoro-4-methoxyphenyl)methyl]-N-ethylethane-1,2-diamine?
The canonical SMILES for N'-[(2,5-difluoro-4-methoxyphenyl)methyl]-N-ethylethane-1,2-diamine is CCNCCNCc1cc(F)c(OC)cc1F.
What is the InChIKey of N'-[(2,5-difluoro-4-methoxyphenyl)methyl]-N-ethylethane-1,2-diamine?
The InChIKey is KPUAPGJTCJMAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O/c1-3-15-4-5-16-8-9-6-11(14)12(17-2)7-10(9)13/h6-7,15-16H,3-5,8H2,1-2H3.
What are the key properties of N'-[(2,5-difluoro-4-methoxyphenyl)methyl]-N-ethylethane-1,2-diamine?
N'-[(2,5-difluoro-4-methoxyphenyl)methyl]-N-ethylethane-1,2-diamine has a molecular weight of 244.28 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,5-difluoro-4-methoxyphenyl)methyl]-N-ethylethane-1,2-diamine is sourced from PubChem (CID 115205877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).