1-(2-fluoro-3-methoxyphenyl)-2-(methoxymethyl)butan-2-amine

C13H20FNO2 — CID 113453716

IUPAC1-(2-fluoro-3-methoxyphenyl)-2-(methoxymethyl)butan-2-amine
SMILESCCC(N)(COC)Cc1cccc(OC)c1F
InChIInChI=1S/C13H20FNO2/c1-4-13(15,9-16-2)8-10-6-5-7-11(17-3)12(10)14/h5-7H,4,8-9,15H2,1-3H3
InChIKeyNBWNAARSKRZVRT-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.13
Rot. Bonds6

About 1-(2-fluoro-3-methoxyphenyl)-2-(methoxymethyl)butan-2-amine

1-(2-fluoro-3-methoxyphenyl)-2-(methoxymethyl)butan-2-amine (PubChem CID 113453716) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)-2-(methoxymethyl)butan-2-amine.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)-2-(methoxymethyl)butan-2-amine
PubChem CID113453716
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name1-(2-fluoro-3-methoxyphenyl)-2-(methoxymethyl)butan-2-amine
SMILESCCC(N)(COC)Cc1cccc(OC)c1F
InChIInChI=1S/C13H20FNO2/c1-4-13(15,9-16-2)8-10-6-5-7-11(17-3)12(10)14/h5-7H,4,8-9,15H2,1-3H3
InChIKeyNBWNAARSKRZVRT-UHFFFAOYSA-N
XLogP2.13
TPSA44.48 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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-3-fluorophenyl)-2-(methoxymethyl)butan-2-amine
CID 112653223
2-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]butan-1-amine
CID 113453864
3-[(2-fluoro-3-methoxyphenyl)methyl]pentan-3-ol
CID 104793017
2-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylbutanenitrile
CID 104795340
2-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]butan-1-ol
CID 113453954
1-(2-fluoro-3-methoxyphenyl)-2,3-dimethylpentan-2-amine
CID 104793318
2-fluoro-1-methoxy-3-(methoxymethyl)benzene
CID 70661160
1-(2-fluoro-3-methoxyphenyl)-2-(2-fluorophenyl)propan-2-amine
CID 104793302
1-(4-chloro-2-fluorophenyl)-2-(methoxymethyl)butan-2-amine
CID 114853514
2-(difluoromethoxy)-1-(2-fluoro-3-methoxyphenyl)butan-2-ol
CID 158318334
3-(2-fluoro-3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine
CID 104794636
3-ethyl-1-(2-fluoro-3-methoxyphenyl)-3-hydroxypentan-2-one
CID 103446967

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-2-(methoxymethyl)butan-2-amine?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-2-(methoxymethyl)butan-2-amine (CID 113453716) is 1-(2-fluoro-3-methoxyphenyl)-2-(methoxymethyl)butan-2-amine.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)-2-(methoxymethyl)butan-2-amine?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)-2-(methoxymethyl)butan-2-amine is CCC(N)(COC)Cc1cccc(OC)c1F.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)-2-(methoxymethyl)butan-2-amine?
The InChIKey is NBWNAARSKRZVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-4-13(15,9-16-2)8-10-6-5-7-11(17-3)12(10)14/h5-7H,4,8-9,15H2,1-3H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)-2-(methoxymethyl)butan-2-amine?
1-(2-fluoro-3-methoxyphenyl)-2-(methoxymethyl)butan-2-amine has a molecular weight of 241.31 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methoxyphenyl)-2-(methoxymethyl)butan-2-amine is sourced from PubChem (CID 113453716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).