3-fluoro-3-(4-methoxyphenyl)butan-2-amine

C11H16FNO — CID 105450720

IUPAC3-fluoro-3-(4-methoxyphenyl)butan-2-amine
SMILESCOc1ccc(C(C)(F)C(C)N)cc1
InChIInChI=1S/C11H16FNO/c1-8(13)11(2,12)9-4-6-10(14-3)7-5-9/h4-8H,13H2,1-3H3
InChIKeyJJPAVFSWBUTBIQ-UHFFFAOYSA-N
MW197.25 g/mol
LogP2.23
Rot. Bonds3

About 3-fluoro-3-(4-methoxyphenyl)butan-2-amine

3-fluoro-3-(4-methoxyphenyl)butan-2-amine (PubChem CID 105450720) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 3-fluoro-3-(4-methoxyphenyl)butan-2-amine.

Molecular Properties

Compound Name3-fluoro-3-(4-methoxyphenyl)butan-2-amine
PubChem CID105450720
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name3-fluoro-3-(4-methoxyphenyl)butan-2-amine
SMILESCOc1ccc(C(C)(F)C(C)N)cc1
InChIInChI=1S/C11H16FNO/c1-8(13)11(2,12)9-4-6-10(14-3)7-5-9/h4-8H,13H2,1-3H3
InChIKeyJJPAVFSWBUTBIQ-UHFFFAOYSA-N
XLogP2.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1,1-bis(4-methoxyphenyl)propane-1,2-diamine
CID 134991044
(2S)-1,1-bis(4-methoxyphenyl)propane-1,2-diamine
CID 58794752
(2R)-4-(4-methoxyphenyl)-4-methylpentan-2-amine
CID 42077610
2-amino-3,3-difluoro-3-(4-methoxyphenyl)propanoic acid;hydrochloride
CID 44717264
1,4-bis[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]benzene
CID 88568102
bis[2-(4-methoxyphenyl)propan-2-yl]diazene
CID 101224810
(1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 164523189
methyl 3-hydroxy-3-(4-methoxyphenyl)-2-propan-2-ylbutanoate
CID 62395794
(1R)-1-iodo-1-(4-methoxyphenyl)ethanamine
CID 68562835
(2R)-1,1-bis(4-methoxyphenyl)-2,3-dimethylbutan-1-amine
CID 161003813
1-[ethoxy(difluoro)methyl]-4-methoxybenzene
CID 102488284
CID 102373172
CID 102373172

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(4-methoxyphenyl)butan-2-amine?
The IUPAC name of 3-fluoro-3-(4-methoxyphenyl)butan-2-amine (CID 105450720) is 3-fluoro-3-(4-methoxyphenyl)butan-2-amine.
What is the SMILES notation for 3-fluoro-3-(4-methoxyphenyl)butan-2-amine?
The canonical SMILES for 3-fluoro-3-(4-methoxyphenyl)butan-2-amine is COc1ccc(C(C)(F)C(C)N)cc1.
What is the InChIKey of 3-fluoro-3-(4-methoxyphenyl)butan-2-amine?
The InChIKey is JJPAVFSWBUTBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-8(13)11(2,12)9-4-6-10(14-3)7-5-9/h4-8H,13H2,1-3H3.
What are the key properties of 3-fluoro-3-(4-methoxyphenyl)butan-2-amine?
3-fluoro-3-(4-methoxyphenyl)butan-2-amine has a molecular weight of 197.25 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(4-methoxyphenyl)butan-2-amine is sourced from PubChem (CID 105450720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).