N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine

C13H21FN2O — CID 113350949

IUPACN-[1-(2-fluoro-6-methoxyphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
SMILESCOc1cccc(F)c1C(C)NCCN(C)C
InChIInChI=1S/C13H21FN2O/c1-10(15-8-9-16(2)3)13-11(14)6-5-7-12(13)17-4/h5-7,10,15H,8-9H2,1-4H3
InChIKeyUDLPJUMXNMKQLV-UHFFFAOYSA-N
MW240.32 g/mol
LogP2.05
Rot. Bonds6

About N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine

N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 113350949) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[1-(2-fluoro-6-methoxyphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID113350949
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC NameN-[1-(2-fluoro-6-methoxyphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
SMILESCOc1cccc(F)c1C(C)NCCN(C)C
InChIInChI=1S/C13H21FN2O/c1-10(15-8-9-16(2)3)13-11(14)6-5-7-12(13)17-4/h5-7,10,15H,8-9H2,1-4H3
InChIKeyUDLPJUMXNMKQLV-UHFFFAOYSA-N
XLogP2.05
TPSA24.50 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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 112700389
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpropan-1-amine
CID 115704747
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-4-methoxybutan-1-amine
CID 112700153
1-(2-fluoro-6-methoxyphenyl)-N-(2-methylsulfonylethyl)ethanamine
CID 112700351
4-[1-(2-fluoro-6-methoxyphenyl)ethylamino]butanenitrile
CID 75443103
1-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 112699983
N-[1-(2,6-difluorophenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62636418
N-(2-cyclobutylethyl)-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115893437
N-benzyl-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115655768
1-(2-fluoro-6-methoxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 112695110
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-2-amine
CID 115705454
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-methoxy-2-methylpropan-1-amine
CID 112700304

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine (CID 113350949) is N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine is COc1cccc(F)c1C(C)NCCN(C)C.
What is the InChIKey of N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is UDLPJUMXNMKQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-10(15-8-9-16(2)3)13-11(14)6-5-7-12(13)17-4/h5-7,10,15H,8-9H2,1-4H3.
What are the key properties of N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine?
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 240.32 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 113350949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).