1-(2,5-difluoro-4-methoxyphenyl)butan-2-amine

C11H15F2NO — CID 170890367

IUPAC1-(2,5-difluoro-4-methoxyphenyl)butan-2-amine
SMILESCCC(N)Cc1cc(F)c(OC)cc1F
InChIInChI=1S/C11H15F2NO/c1-3-8(14)4-7-5-10(13)11(15-2)6-9(7)12/h5-6,8H,3-4,14H2,1-2H3
InChIKeyHAYAWFWOYOZPKV-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.25
Rot. Bonds4

About 1-(2,5-difluoro-4-methoxyphenyl)butan-2-amine

1-(2,5-difluoro-4-methoxyphenyl)butan-2-amine (PubChem CID 170890367) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 1-(2,5-difluoro-4-methoxyphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(2,5-difluoro-4-methoxyphenyl)butan-2-amine
PubChem CID170890367
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name1-(2,5-difluoro-4-methoxyphenyl)butan-2-amine
SMILESCCC(N)Cc1cc(F)c(OC)cc1F
InChIInChI=1S/C11H15F2NO/c1-3-8(14)4-7-5-10(13)11(15-2)6-9(7)12/h5-6,8H,3-4,14H2,1-2H3
InChIKeyHAYAWFWOYOZPKV-UHFFFAOYSA-N
XLogP2.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,5-difluoro-4-methoxyphenyl)methyl]-N-methylbutan-1-amine
CID 116931874
1-(4,5-difluoro-2-propoxyphenyl)butan-2-amine
CID 170890380
4-[(2R)-2-aminobutyl]-2,5-dimethoxyaniline
CID 54283299
1-(2-ethyl-4,5-dimethoxyphenyl)butan-2-amine;hydrochloride
CID 170890492
4-(2-aminobutyl)-2,5-dimethoxyaniline;hydrochloride
CID 45264254
(2,5-difluoro-4-methoxyphenyl)methylhydrazine
CID 116932362
1-(2,5-dimethoxy-4-methylphenyl)butan-2-amine;ethane
CID 176553687
1-(2,5-difluoro-4-methoxyphenyl)-2-methylpropan-2-amine
CID 82648003
1-(2,4-difluoro-5-methoxyphenyl)propan-2-ol
CID 117290712
4-(2-aminobutyl)-2-fluoro-6-methoxyphenol;hydrochloride
CID 170889186
1-(2-methoxy-5-methylphenyl)butan-2-amine;hydrochloride
CID 170889680
1-[4-(3,3-difluorobutyl)-2,5-dimethoxyphenyl]butan-2-amine
CID 176553694

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluoro-4-methoxyphenyl)butan-2-amine?
The IUPAC name of 1-(2,5-difluoro-4-methoxyphenyl)butan-2-amine (CID 170890367) is 1-(2,5-difluoro-4-methoxyphenyl)butan-2-amine.
What is the SMILES notation for 1-(2,5-difluoro-4-methoxyphenyl)butan-2-amine?
The canonical SMILES for 1-(2,5-difluoro-4-methoxyphenyl)butan-2-amine is CCC(N)Cc1cc(F)c(OC)cc1F.
What is the InChIKey of 1-(2,5-difluoro-4-methoxyphenyl)butan-2-amine?
The InChIKey is HAYAWFWOYOZPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-3-8(14)4-7-5-10(13)11(15-2)6-9(7)12/h5-6,8H,3-4,14H2,1-2H3.
What are the key properties of 1-(2,5-difluoro-4-methoxyphenyl)butan-2-amine?
1-(2,5-difluoro-4-methoxyphenyl)butan-2-amine has a molecular weight of 215.24 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluoro-4-methoxyphenyl)butan-2-amine is sourced from PubChem (CID 170890367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).