N'-[1-(2-fluorophenyl)ethyl]-2-methoxy-N'-methylpropane-1,3-diamine

C13H21FN2O — CID 106114801

IUPACN'-[1-(2-fluorophenyl)ethyl]-2-methoxy-N'-methylpropane-1,3-diamine
SMILESCOC(CN)CN(C)C(C)c1ccccc1F
InChIInChI=1S/C13H21FN2O/c1-10(12-6-4-5-7-13(12)14)16(2)9-11(8-15)17-3/h4-7,10-11H,8-9,15H2,1-3H3
InChIKeyZQHVTHUJTYALAL-UHFFFAOYSA-N
MW240.32 g/mol
LogP1.79
Rot. Bonds6

About N'-[1-(2-fluorophenyl)ethyl]-2-methoxy-N'-methylpropane-1,3-diamine

N'-[1-(2-fluorophenyl)ethyl]-2-methoxy-N'-methylpropane-1,3-diamine (PubChem CID 106114801) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is N'-[1-(2-fluorophenyl)ethyl]-2-methoxy-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[1-(2-fluorophenyl)ethyl]-2-methoxy-N'-methylpropane-1,3-diamine
PubChem CID106114801
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC NameN'-[1-(2-fluorophenyl)ethyl]-2-methoxy-N'-methylpropane-1,3-diamine
SMILESCOC(CN)CN(C)C(C)c1ccccc1F
InChIInChI=1S/C13H21FN2O/c1-10(12-6-4-5-7-13(12)14)16(2)9-11(8-15)17-3/h4-7,10-11H,8-9,15H2,1-3H3
InChIKeyZQHVTHUJTYALAL-UHFFFAOYSA-N
XLogP1.79
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-fluorophenyl)ethyl]-N,2-dimethylpentane-1,5-diamine
CID 113440610
1-N-[1-(2-fluorophenyl)ethyl]-3-methoxy-1-N-methylpropane-1,2-diamine
CID 81101528
N'-[1-(2-fluorophenyl)ethyl]-N'-methylhexane-1,6-diamine
CID 62985248
N'-[1-(4-chlorophenyl)ethyl]-2-methoxy-N'-methylpropane-1,3-diamine
CID 114145294
N'-[1-(2-fluorophenyl)ethyl]-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 62979148
1-[1-(2-fluorophenyl)ethyl-methylamino]-3,3-dimethylbutan-2-ol
CID 55139894
N'-[1-(2-chlorophenyl)ethyl]-2-ethoxy-N'-methylpropane-1,3-diamine
CID 63070244
2-[1-(2-fluorophenyl)ethyl-methylamino]-1-(2-methylphenyl)ethanol
CID 62983990
1-cyclopentyl-N'-[1-(2-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine
CID 104746052
1-N-[1-(2-fluorophenyl)ethyl]-3-methoxy-1-N-methyl-2-N-propylpropane-1,2-diamine
CID 107505692
1-[1-(2-fluorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62980625
1-[1-(2-fluorophenyl)ethyl-methylamino]-3-(2-methoxyethylamino)propan-2-ol
CID 115475277

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2-fluorophenyl)ethyl]-2-methoxy-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-[1-(2-fluorophenyl)ethyl]-2-methoxy-N'-methylpropane-1,3-diamine (CID 106114801) is N'-[1-(2-fluorophenyl)ethyl]-2-methoxy-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[1-(2-fluorophenyl)ethyl]-2-methoxy-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-[1-(2-fluorophenyl)ethyl]-2-methoxy-N'-methylpropane-1,3-diamine is COC(CN)CN(C)C(C)c1ccccc1F.
What is the InChIKey of N'-[1-(2-fluorophenyl)ethyl]-2-methoxy-N'-methylpropane-1,3-diamine?
The InChIKey is ZQHVTHUJTYALAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-10(12-6-4-5-7-13(12)14)16(2)9-11(8-15)17-3/h4-7,10-11H,8-9,15H2,1-3H3.
What are the key properties of N'-[1-(2-fluorophenyl)ethyl]-2-methoxy-N'-methylpropane-1,3-diamine?
N'-[1-(2-fluorophenyl)ethyl]-2-methoxy-N'-methylpropane-1,3-diamine has a molecular weight of 240.32 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2-fluorophenyl)ethyl]-2-methoxy-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 106114801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).