N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1-methoxypropan-2-amine

C13H20FNO2 — CID 112695750

IUPACN-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NC(C)c1c(F)cccc1OC
InChIInChI=1S/C13H20FNO2/c1-9(8-16-3)15-10(2)13-11(14)6-5-7-12(13)17-4/h5-7,9-10,15H,8H2,1-4H3
InChIKeyRNWGDHZWXHOTSJ-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.52
Rot. Bonds6

About N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1-methoxypropan-2-amine

N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1-methoxypropan-2-amine (PubChem CID 112695750) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1-methoxypropan-2-amine.

Molecular Properties

Compound NameN-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1-methoxypropan-2-amine
PubChem CID112695750
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC NameN-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NC(C)c1c(F)cccc1OC
InChIInChI=1S/C13H20FNO2/c1-9(8-16-3)15-10(2)13-11(14)6-5-7-12(13)17-4/h5-7,9-10,15H,8H2,1-4H3
InChIKeyRNWGDHZWXHOTSJ-UHFFFAOYSA-N
XLogP2.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,6-difluorophenyl)ethyl]-1-methoxypropan-2-amine
CID 43191829
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-2-amine
CID 115705454
2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]propane-1,3-diol
CID 112700459
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-methoxy-2-methylpropan-1-amine
CID 112700304
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpropan-1-amine
CID 115704747
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpentan-3-amine
CID 112700466
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-4-methoxybutan-1-amine
CID 112700153
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 115707420
3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-4-methylpentan-1-ol
CID 103786462
4-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline
CID 115916765
1-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 112700389
N-benzyl-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115655768

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1-methoxypropan-2-amine?
The IUPAC name of N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1-methoxypropan-2-amine (CID 112695750) is N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1-methoxypropan-2-amine.
What is the SMILES notation for N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1-methoxypropan-2-amine?
The canonical SMILES for N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1-methoxypropan-2-amine is COCC(C)NC(C)c1c(F)cccc1OC.
What is the InChIKey of N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1-methoxypropan-2-amine?
The InChIKey is RNWGDHZWXHOTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-9(8-16-3)15-10(2)13-11(14)6-5-7-12(13)17-4/h5-7,9-10,15H,8H2,1-4H3.
What are the key properties of N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1-methoxypropan-2-amine?
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1-methoxypropan-2-amine has a molecular weight of 241.31 g/mol, XLogP of 2.52, 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]-1-methoxypropan-2-amine is sourced from PubChem (CID 112695750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).