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

C15H25FN2O — CID 112699983

IUPAC1-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCOc1cccc(F)c1C(C)NCC(C)(C)N(C)C
InChIInChI=1S/C15H25FN2O/c1-11(17-10-15(2,3)18(4)5)14-12(16)8-7-9-13(14)19-6/h7-9,11,17H,10H2,1-6H3
InChIKeyKESDHSWQPPJLKT-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.83
Rot. Bonds6

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

1-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine (PubChem CID 112699983) has the molecular formula C15H25FN2O and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
PubChem CID112699983
Molecular FormulaC15H25FN2O
Molecular Weight268.38 g/mol
Exact Mass268.20
IUPAC Name1-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCOc1cccc(F)c1C(C)NCC(C)(C)N(C)C
InChIInChI=1S/C15H25FN2O/c1-11(17-10-15(2,3)18(4)5)14-12(16)8-7-9-13(14)19-6/h7-9,11,17H,10H2,1-6H3
InChIKeyKESDHSWQPPJLKT-UHFFFAOYSA-N
XLogP2.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-2-methylpentan-2-ol
CID 103783359
1-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol
CID 103784211
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 113350949
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]propan-2-amine
CID 115705454
N-benzyl-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115655768
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-methoxy-2-methylpropan-1-amine
CID 112700304
methyl 2-[[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]amino]acetate
CID 97334412
2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]acetamide
CID 115901891
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-4-methoxybutan-1-amine
CID 112700153
N-(2-cyclobutylethyl)-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115893437

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
The IUPAC name of 1-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine (CID 112699983) is 1-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine is COc1cccc(F)c1C(C)NCC(C)(C)N(C)C.
What is the InChIKey of 1-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
The InChIKey is KESDHSWQPPJLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O/c1-11(17-10-15(2,3)18(4)5)14-12(16)8-7-9-13(14)19-6/h7-9,11,17H,10H2,1-6H3.
What are the key properties of 1-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
1-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine has a molecular weight of 268.38 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine is sourced from PubChem (CID 112699983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).