1-[(3-fluoro-4-methoxyphenyl)methoxy]-2-methylbutan-2-amine

C13H20FNO2 — CID 64572108

IUPAC1-[(3-fluoro-4-methoxyphenyl)methoxy]-2-methylbutan-2-amine
SMILESCCC(C)(N)COCc1ccc(OC)c(F)c1
InChIInChI=1S/C13H20FNO2/c1-4-13(2,15)9-17-8-10-5-6-12(16-3)11(14)7-10/h5-7H,4,8-9,15H2,1-3H3
InChIKeyGFIKZEWNYFGCQR-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.48
Rot. Bonds6

About 1-[(3-fluoro-4-methoxyphenyl)methoxy]-2-methylbutan-2-amine

1-[(3-fluoro-4-methoxyphenyl)methoxy]-2-methylbutan-2-amine (PubChem CID 64572108) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is 1-[(3-fluoro-4-methoxyphenyl)methoxy]-2-methylbutan-2-amine.

Molecular Properties

Compound Name1-[(3-fluoro-4-methoxyphenyl)methoxy]-2-methylbutan-2-amine
PubChem CID64572108
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name1-[(3-fluoro-4-methoxyphenyl)methoxy]-2-methylbutan-2-amine
SMILESCCC(C)(N)COCc1ccc(OC)c(F)c1
InChIInChI=1S/C13H20FNO2/c1-4-13(2,15)9-17-8-10-5-6-12(16-3)11(14)7-10/h5-7H,4,8-9,15H2,1-3H3
InChIKeyGFIKZEWNYFGCQR-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-3-methoxy-2-methylpropan-2-amine
CID 62622774
(2R)-2-[(3-fluoro-4-methoxyphenyl)methoxymethyl]oxirane
CID 97180114
1-(3-fluoro-4-methoxyphenyl)-4-methoxy-2-methylbutan-2-amine
CID 62620543
4-[(3-fluoro-4-methoxyphenyl)methoxy]aniline
CID 43154828
2-benzyl-1-(3-fluoro-4-methoxyphenyl)butan-2-amine
CID 79008622
2-fluoro-1-methoxy-4-(phenoxymethyl)benzene
CID 60627904
1-(3,4-dimethoxyphenyl)-2-methyl-3-phenylmethoxypropan-2-amine
CID 12926482
3-[(2-amino-2-methylbutoxy)methyl]benzonitrile
CID 64574024
2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]butan-1-ol
CID 66058297
(3-fluoro-4-methoxyphenyl)methyl 2-aminoacetate
CID 94256668
[3-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine
CID 43332360
2-amino-4-(3-fluoro-4-methoxyphenyl)-2-methylbutanenitrile
CID 82080227

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-4-methoxyphenyl)methoxy]-2-methylbutan-2-amine?
The IUPAC name of 1-[(3-fluoro-4-methoxyphenyl)methoxy]-2-methylbutan-2-amine (CID 64572108) is 1-[(3-fluoro-4-methoxyphenyl)methoxy]-2-methylbutan-2-amine.
What is the SMILES notation for 1-[(3-fluoro-4-methoxyphenyl)methoxy]-2-methylbutan-2-amine?
The canonical SMILES for 1-[(3-fluoro-4-methoxyphenyl)methoxy]-2-methylbutan-2-amine is CCC(C)(N)COCc1ccc(OC)c(F)c1.
What is the InChIKey of 1-[(3-fluoro-4-methoxyphenyl)methoxy]-2-methylbutan-2-amine?
The InChIKey is GFIKZEWNYFGCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-4-13(2,15)9-17-8-10-5-6-12(16-3)11(14)7-10/h5-7H,4,8-9,15H2,1-3H3.
What are the key properties of 1-[(3-fluoro-4-methoxyphenyl)methoxy]-2-methylbutan-2-amine?
1-[(3-fluoro-4-methoxyphenyl)methoxy]-2-methylbutan-2-amine has a molecular weight of 241.31 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-4-methoxyphenyl)methoxy]-2-methylbutan-2-amine is sourced from PubChem (CID 64572108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).