N-[2-(5-fluoro-2-methylphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine

C13H21FN2O — CID 102987235

IUPACN-[2-(5-fluoro-2-methylphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine
SMILESCc1ccc(F)cc1OCCNCCN(C)C
InChIInChI=1S/C13H21FN2O/c1-11-4-5-12(14)10-13(11)17-9-7-15-6-8-16(2)3/h4-5,10,15H,6-9H2,1-3H3
InChIKeyKQGUGCOHDWORET-UHFFFAOYSA-N
MW240.32 g/mol
LogP1.66
Rot. Bonds7

About N-[2-(5-fluoro-2-methylphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine

N-[2-(5-fluoro-2-methylphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 102987235) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is N-[2-(5-fluoro-2-methylphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-(5-fluoro-2-methylphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID102987235
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC NameN-[2-(5-fluoro-2-methylphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine
SMILESCc1ccc(F)cc1OCCNCCN(C)C
InChIInChI=1S/C13H21FN2O/c1-11-4-5-12(14)10-13(11)17-9-7-15-6-8-16(2)3/h4-5,10,15H,6-9H2,1-3H3
InChIKeyKQGUGCOHDWORET-UHFFFAOYSA-N
XLogP1.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(5-fluoro-2-methylphenoxy)ethyl]-2-methoxyethanamine
CID 102987264
N-[2-(5-fluoro-2-methylphenoxy)ethyl]-2-methylpropan-1-amine
CID 102986518
N-(cyclopropylmethyl)-2-(5-fluoro-2-methylphenoxy)ethanamine
CID 102987275
6-(5-fluoro-2-methylphenoxy)-N-propylhexan-1-amine
CID 102986433
N-ethyl-4-(5-fluoro-2-methylphenoxy)butan-1-amine
CID 102986467
6-(5-fluoro-2-methylphenoxy)hexane-1-thiol
CID 102988847
N-(5-fluoro-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28582966
N',N'-dimethyl-N-[2-(2-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine
CID 62572472
2-(6-chlorohexoxy)-4-fluoro-1-methylbenzene
CID 102981403
3-(5-fluoro-2-methylphenoxy)propanethioamide
CID 102981847
N-[2-(4-chloro-3-fluorophenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 82727158
N',N'-dimethyl-N-[2-(5-methyl-2-nitrophenoxy)ethyl]ethane-1,2-diamine
CID 2966260

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-2-methylphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[2-(5-fluoro-2-methylphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine (CID 102987235) is N-[2-(5-fluoro-2-methylphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[2-(5-fluoro-2-methylphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[2-(5-fluoro-2-methylphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine is Cc1ccc(F)cc1OCCNCCN(C)C.
What is the InChIKey of N-[2-(5-fluoro-2-methylphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is KQGUGCOHDWORET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-11-4-5-12(14)10-13(11)17-9-7-15-6-8-16(2)3/h4-5,10,15H,6-9H2,1-3H3.
What are the key properties of N-[2-(5-fluoro-2-methylphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine?
N-[2-(5-fluoro-2-methylphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 240.32 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-2-methylphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 102987235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).