4-(3,5-difluorophenyl)-3-methylbutan-2-amine

C11H15F2N — CID 105404517

IUPAC4-(3,5-difluorophenyl)-3-methylbutan-2-amine
SMILESCC(N)C(C)Cc1cc(F)cc(F)c1
InChIInChI=1S/C11H15F2N/c1-7(8(2)14)3-9-4-10(12)6-11(13)5-9/h4-8H,3,14H2,1-2H3
InChIKeyKRBHZFCKGAJUKA-UHFFFAOYSA-N
MW199.24 g/mol
LogP2.49
Rot. Bonds3

About 4-(3,5-difluorophenyl)-3-methylbutan-2-amine

4-(3,5-difluorophenyl)-3-methylbutan-2-amine (PubChem CID 105404517) has the molecular formula C11H15F2N and a molecular weight of 199.24 g/mol. Its IUPAC name is 4-(3,5-difluorophenyl)-3-methylbutan-2-amine.

Molecular Properties

Compound Name4-(3,5-difluorophenyl)-3-methylbutan-2-amine
PubChem CID105404517
Molecular FormulaC11H15F2N
Molecular Weight199.24 g/mol
Exact Mass199.12
IUPAC Name4-(3,5-difluorophenyl)-3-methylbutan-2-amine
SMILESCC(N)C(C)Cc1cc(F)cc(F)c1
InChIInChI=1S/C11H15F2N/c1-7(8(2)14)3-9-4-10(12)6-11(13)5-9/h4-8H,3,14H2,1-2H3
InChIKeyKRBHZFCKGAJUKA-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,5-difluorophenyl)-2-methylpentan-3-amine
CID 105404557
1-(3,5-difluorophenyl)-2-methylpentan-3-ol
CID 105407726
1-(2-chloropropyl)-3,5-difluorobenzene
CID 126973917
(2R)-2-amino-3-(3,5-difluorophenyl)propan-1-ol
CID 162341885
(2R)-1-(3,5-difluorophenyl)propane-2-sulfonic acid
CID 165179665
2-(3,5-difluorophenyl)-1-(1-methylcyclopropyl)ethanamine
CID 105406717
1-(3,5-difluorophenyl)-4-methoxybutan-2-amine
CID 115601754
4-(5-fluoro-2-methylphenyl)-3-methylbutan-2-amine
CID 105372310
(2R)-1-(3-fluoro-5-methoxyphenyl)propan-2-amine
CID 124510333
[1-(3,5-difluorophenyl)-3,4-dimethylpentan-2-yl]hydrazine
CID 105413151
2-(3,5-difluorophenyl)-1-(2-methylcyclopropyl)ethanamine
CID 105406402
(2S)-4-chloro-1-(3,5-difluorophenyl)butan-2-amine
CID 89258105

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluorophenyl)-3-methylbutan-2-amine?
The IUPAC name of 4-(3,5-difluorophenyl)-3-methylbutan-2-amine (CID 105404517) is 4-(3,5-difluorophenyl)-3-methylbutan-2-amine.
What is the SMILES notation for 4-(3,5-difluorophenyl)-3-methylbutan-2-amine?
The canonical SMILES for 4-(3,5-difluorophenyl)-3-methylbutan-2-amine is CC(N)C(C)Cc1cc(F)cc(F)c1.
What is the InChIKey of 4-(3,5-difluorophenyl)-3-methylbutan-2-amine?
The InChIKey is KRBHZFCKGAJUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N/c1-7(8(2)14)3-9-4-10(12)6-11(13)5-9/h4-8H,3,14H2,1-2H3.
What are the key properties of 4-(3,5-difluorophenyl)-3-methylbutan-2-amine?
4-(3,5-difluorophenyl)-3-methylbutan-2-amine has a molecular weight of 199.24 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluorophenyl)-3-methylbutan-2-amine is sourced from PubChem (CID 105404517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).