4,4-difluoro-3-(4-methoxyphenyl)butan-1-amine

C11H15F2NO — CID 115029046

IUPAC4,4-difluoro-3-(4-methoxyphenyl)butan-1-amine
SMILESCOc1ccc(C(CCN)C(F)F)cc1
InChIInChI=1S/C11H15F2NO/c1-15-9-4-2-8(3-5-9)10(6-7-14)11(12)13/h2-5,10-11H,6-7,14H2,1H3
InChIKeyULXYFNZIHARRCU-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.39
Rot. Bonds5

About 4,4-difluoro-3-(4-methoxyphenyl)butan-1-amine

4,4-difluoro-3-(4-methoxyphenyl)butan-1-amine (PubChem CID 115029046) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 4,4-difluoro-3-(4-methoxyphenyl)butan-1-amine.

Molecular Properties

Compound Name4,4-difluoro-3-(4-methoxyphenyl)butan-1-amine
PubChem CID115029046
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name4,4-difluoro-3-(4-methoxyphenyl)butan-1-amine
SMILESCOc1ccc(C(CCN)C(F)F)cc1
InChIInChI=1S/C11H15F2NO/c1-15-9-4-2-8(3-5-9)10(6-7-14)11(12)13/h2-5,10-11H,6-7,14H2,1H3
InChIKeyULXYFNZIHARRCU-UHFFFAOYSA-N
XLogP2.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(4-methoxyphenyl)-4-methylpentan-1-amine
CID 899124
1-(4-methoxyphenyl)-2-methylbutane-1,4-diamine
CID 116933980
2-(4-methoxyphenyl)propane-1,3-diamine
CID 20546608
4,4-difluoro-3-(4-methoxyphenyl)butanoic acid
CID 115037588
1-[fluoro-(4-methoxyphenyl)methyl]-4-methoxybenzene
CID 15206991
(2S)-2-(4-methoxyphenyl)butan-1-amine
CID 15215732
3-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)propan-1-amine
CID 103148805
[(1S)-2,2-difluoro-1-(4-methoxyphenyl)ethyl]azanium
CID 28973216
3-amino-2-(4-methoxyphenyl)propan-1-ol
CID 75251632
(2S)-3-amino-2-(4-methoxyphenyl)propan-1-ol
CID 46911827
(2R)-2-fluoro-2-(4-methoxyphenyl)ethanol
CID 130626363
1-(4-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 70626122

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-3-(4-methoxyphenyl)butan-1-amine?
The IUPAC name of 4,4-difluoro-3-(4-methoxyphenyl)butan-1-amine (CID 115029046) is 4,4-difluoro-3-(4-methoxyphenyl)butan-1-amine.
What is the SMILES notation for 4,4-difluoro-3-(4-methoxyphenyl)butan-1-amine?
The canonical SMILES for 4,4-difluoro-3-(4-methoxyphenyl)butan-1-amine is COc1ccc(C(CCN)C(F)F)cc1.
What is the InChIKey of 4,4-difluoro-3-(4-methoxyphenyl)butan-1-amine?
The InChIKey is ULXYFNZIHARRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-15-9-4-2-8(3-5-9)10(6-7-14)11(12)13/h2-5,10-11H,6-7,14H2,1H3.
What are the key properties of 4,4-difluoro-3-(4-methoxyphenyl)butan-1-amine?
4,4-difluoro-3-(4-methoxyphenyl)butan-1-amine has a molecular weight of 215.24 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-3-(4-methoxyphenyl)butan-1-amine is sourced from PubChem (CID 115029046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).