1-(2,4-difluoro-3-methylphenyl)butan-2-amine

C11H15F2N — CID 55254777

IUPAC1-(2,4-difluoro-3-methylphenyl)butan-2-amine
SMILESCCC(N)Cc1ccc(F)c(C)c1F
InChIInChI=1S/C11H15F2N/c1-3-9(14)6-8-4-5-10(12)7(2)11(8)13/h4-5,9H,3,6,14H2,1-2H3
InChIKeyZLESSXLKQNHISD-UHFFFAOYSA-N
MW199.24 g/mol
LogP2.55
Rot. Bonds3

About 1-(2,4-difluoro-3-methylphenyl)butan-2-amine

1-(2,4-difluoro-3-methylphenyl)butan-2-amine (PubChem CID 55254777) has the molecular formula C11H15F2N and a molecular weight of 199.24 g/mol. Its IUPAC name is 1-(2,4-difluoro-3-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(2,4-difluoro-3-methylphenyl)butan-2-amine
PubChem CID55254777
Molecular FormulaC11H15F2N
Molecular Weight199.24 g/mol
Exact Mass199.12
IUPAC Name1-(2,4-difluoro-3-methylphenyl)butan-2-amine
SMILESCCC(N)Cc1ccc(F)c(C)c1F
InChIInChI=1S/C11H15F2N/c1-3-9(14)6-8-4-5-10(12)7(2)11(8)13/h4-5,9H,3,6,14H2,1-2H3
InChIKeyZLESSXLKQNHISD-UHFFFAOYSA-N
XLogP2.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,4-difluoro-3-methylphenyl)methanamine
CID 11469203
1-(3,5-difluoro-2-methyl-4-propoxyphenyl)butan-2-amine
CID 170890371
2-amino-3-(2,3,4-trifluorophenyl)propan-1-ol;hydrochloride
CID 170892136
4-(2-aminobutyl)benzene-1,3-diol
CID 43565996
1-[5-chloro-2-(4-chloro-2-methylphenoxy)phenyl]butan-2-amine
CID 114862972
1-[4-(4-chlorophenoxy)-2-methylphenyl]butan-2-amine
CID 63802763
1-[2-(2-fluoro-3-methylphenoxy)phenyl]butan-2-amine
CID 107661732
1-[4-(4-chloro-3-fluorophenoxy)-2-methylphenyl]butan-2-amine
CID 82718867
1-[4-chloro-2-(2,4-difluorophenoxy)phenyl]butan-2-amine
CID 114862712
1-(4,5-difluoro-2-propoxyphenyl)butan-2-amine
CID 170890380
1-(4-fluoro-2-methylphenyl)-4-methylhexan-2-amine
CID 105051172
1-(2,6-difluoro-3-methoxyphenyl)butan-2-amine;hydrochloride
CID 170889477

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluoro-3-methylphenyl)butan-2-amine?
The IUPAC name of 1-(2,4-difluoro-3-methylphenyl)butan-2-amine (CID 55254777) is 1-(2,4-difluoro-3-methylphenyl)butan-2-amine.
What is the SMILES notation for 1-(2,4-difluoro-3-methylphenyl)butan-2-amine?
The canonical SMILES for 1-(2,4-difluoro-3-methylphenyl)butan-2-amine is CCC(N)Cc1ccc(F)c(C)c1F.
What is the InChIKey of 1-(2,4-difluoro-3-methylphenyl)butan-2-amine?
The InChIKey is ZLESSXLKQNHISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N/c1-3-9(14)6-8-4-5-10(12)7(2)11(8)13/h4-5,9H,3,6,14H2,1-2H3.
What are the key properties of 1-(2,4-difluoro-3-methylphenyl)butan-2-amine?
1-(2,4-difluoro-3-methylphenyl)butan-2-amine has a molecular weight of 199.24 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluoro-3-methylphenyl)butan-2-amine is sourced from PubChem (CID 55254777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).