2-(3,4-difluorophenyl)-2-methylbutan-1-amine

C11H15F2N — CID 83637662

IUPAC2-(3,4-difluorophenyl)-2-methylbutan-1-amine
SMILESCCC(C)(CN)c1ccc(F)c(F)c1
InChIInChI=1S/C11H15F2N/c1-3-11(2,7-14)8-4-5-9(12)10(13)6-8/h4-6H,3,7,14H2,1-2H3
InChIKeyQBIPHOKCWZQZJO-UHFFFAOYSA-N
MW199.24 g/mol
LogP2.59
Rot. Bonds3

About 2-(3,4-difluorophenyl)-2-methylbutan-1-amine

2-(3,4-difluorophenyl)-2-methylbutan-1-amine (PubChem CID 83637662) has the molecular formula C11H15F2N and a molecular weight of 199.24 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-2-methylbutan-1-amine
PubChem CID83637662
Molecular FormulaC11H15F2N
Molecular Weight199.24 g/mol
Exact Mass199.12
IUPAC Name2-(3,4-difluorophenyl)-2-methylbutan-1-amine
SMILESCCC(C)(CN)c1ccc(F)c(F)c1
InChIInChI=1S/C11H15F2N/c1-3-11(2,7-14)8-4-5-9(12)10(13)6-8/h4-6H,3,7,14H2,1-2H3
InChIKeyQBIPHOKCWZQZJO-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-fluoro-3-methoxyphenyl)-2-methylbutan-1-amine
CID 83835033
2-(3,4-difluorophenyl)-2-methyl-3-pyridin-4-ylpropan-1-amine
CID 117049073
1-tert-butyl-2-fluoro-4-(3-methylpentan-3-yl)benzene
CID 126704074
3-amino-2-(4-chloro-3-fluorophenyl)-2-methylpropan-1-ol
CID 83821833
ethyl (3S)-3-(3,4-difluorophenyl)-3-hydroxybutanoate
CID 94425144
2-bromo-4-[1-[2-(3-bromo-4-fluorophenyl)-2-methylbutoxy]-2-methylbutan-2-yl]-1-fluorobenzene
CID 57278654
2-[(3,4-difluorophenyl)methyl]-2-ethylbutan-1-amine
CID 82929509
3-(3,4-difluorophenyl)-2-methylpentan-3-ol
CID 62802686
ethyl (2S)-2-(3,4-difluorophenyl)-2-hydroxypropanoate
CID 94376533
ethyl 2-(3,4-difluorophenyl)-2-hydroxypropanoate
CID 62215035
1,2-difluoro-4-(2-methyloctan-2-yl)benzene
CID 146181426
2-(4-fluoro-3-methylphenyl)butan-2-amine
CID 62791443

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-2-methylbutan-1-amine?
The IUPAC name of 2-(3,4-difluorophenyl)-2-methylbutan-1-amine (CID 83637662) is 2-(3,4-difluorophenyl)-2-methylbutan-1-amine.
What is the SMILES notation for 2-(3,4-difluorophenyl)-2-methylbutan-1-amine?
The canonical SMILES for 2-(3,4-difluorophenyl)-2-methylbutan-1-amine is CCC(C)(CN)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-2-methylbutan-1-amine?
The InChIKey is QBIPHOKCWZQZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N/c1-3-11(2,7-14)8-4-5-9(12)10(13)6-8/h4-6H,3,7,14H2,1-2H3.
What are the key properties of 2-(3,4-difluorophenyl)-2-methylbutan-1-amine?
2-(3,4-difluorophenyl)-2-methylbutan-1-amine has a molecular weight of 199.24 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-2-methylbutan-1-amine is sourced from PubChem (CID 83637662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).