N-ethyl-N'-[2-(5-fluoro-2-methoxyphenyl)ethyl]ethane-1,2-diamine

C13H21FN2O — CID 115205971

IUPACN-ethyl-N'-[2-(5-fluoro-2-methoxyphenyl)ethyl]ethane-1,2-diamine
SMILESCCNCCNCCc1cc(F)ccc1OC
InChIInChI=1S/C13H21FN2O/c1-3-15-8-9-16-7-6-11-10-12(14)4-5-13(11)17-2/h4-5,10,15-16H,3,6-9H2,1-2H3
InChIKeyAWRPGZOCGNSUAF-UHFFFAOYSA-N
MW240.32 g/mol
LogP1.58
Rot. Bonds8

About N-ethyl-N'-[2-(5-fluoro-2-methoxyphenyl)ethyl]ethane-1,2-diamine

N-ethyl-N'-[2-(5-fluoro-2-methoxyphenyl)ethyl]ethane-1,2-diamine (PubChem CID 115205971) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is N-ethyl-N'-[2-(5-fluoro-2-methoxyphenyl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N'-[2-(5-fluoro-2-methoxyphenyl)ethyl]ethane-1,2-diamine
PubChem CID115205971
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC NameN-ethyl-N'-[2-(5-fluoro-2-methoxyphenyl)ethyl]ethane-1,2-diamine
SMILESCCNCCNCCc1cc(F)ccc1OC
InChIInChI=1S/C13H21FN2O/c1-3-15-8-9-16-7-6-11-10-12(14)4-5-13(11)17-2/h4-5,10,15-16H,3,6-9H2,1-2H3
InChIKeyAWRPGZOCGNSUAF-UHFFFAOYSA-N
XLogP1.58
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 51.58
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

N-ethyl-N'-[2-(5-ethyl-2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115206001
N'-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylmethanediamine
CID 115227132
5-(5-fluoro-2-methoxyphenyl)-N-[5-(5-fluoro-2-methoxyphenyl)pentyl]pentan-1-amine
CID 143286054
N-ethyl-N'-(5-fluoro-2-methoxyphenyl)ethane-1,2-diamine
CID 115205550
1-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-2-methylpropane-1,2-diamine
CID 115136113
1-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]propane-1,2-diamine
CID 115196753
1-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]pentane-1,4-diamine
CID 115203997
5-[2-(5-fluoro-2-methoxyphenyl)ethylamino]pentan-2-one
CID 115236659
N'-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-N-ethylethane-1,2-diamine
CID 115206014
N-[2-(2,5-dimethoxyphenyl)ethyl]propan-1-amine
CID 39245762
2-[2-[2-(ethylamino)ethyl]-4-fluorophenyl]ethanol
CID 145138621
2-(2,5-dimethoxy-4-methylphenyl)-N-ethylethanamine
CID 98783839

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[2-(5-fluoro-2-methoxyphenyl)ethyl]ethane-1,2-diamine?
The IUPAC name of N-ethyl-N'-[2-(5-fluoro-2-methoxyphenyl)ethyl]ethane-1,2-diamine (CID 115205971) is N-ethyl-N'-[2-(5-fluoro-2-methoxyphenyl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N'-[2-(5-fluoro-2-methoxyphenyl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N-ethyl-N'-[2-(5-fluoro-2-methoxyphenyl)ethyl]ethane-1,2-diamine is CCNCCNCCc1cc(F)ccc1OC.
What is the InChIKey of N-ethyl-N'-[2-(5-fluoro-2-methoxyphenyl)ethyl]ethane-1,2-diamine?
The InChIKey is AWRPGZOCGNSUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-3-15-8-9-16-7-6-11-10-12(14)4-5-13(11)17-2/h4-5,10,15-16H,3,6-9H2,1-2H3.
What are the key properties of N-ethyl-N'-[2-(5-fluoro-2-methoxyphenyl)ethyl]ethane-1,2-diamine?
N-ethyl-N'-[2-(5-fluoro-2-methoxyphenyl)ethyl]ethane-1,2-diamine has a molecular weight of 240.32 g/mol, XLogP of 1.58, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[2-(5-fluoro-2-methoxyphenyl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 115205971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).