1-(5-fluoro-2-methylphenyl)-3,3-dimethylbutan-2-amine

C13H20FN — CID 105373655

IUPAC1-(5-fluoro-2-methylphenyl)-3,3-dimethylbutan-2-amine
SMILESCc1ccc(F)cc1CC(N)C(C)(C)C
InChIInChI=1S/C13H20FN/c1-9-5-6-11(14)7-10(9)8-12(15)13(2,3)4/h5-7,12H,8,15H2,1-4H3
InChIKeyWAZWHZONTNDMFD-UHFFFAOYSA-N
MW209.31 g/mol
LogP3.05
Rot. Bonds2

About 1-(5-fluoro-2-methylphenyl)-3,3-dimethylbutan-2-amine

1-(5-fluoro-2-methylphenyl)-3,3-dimethylbutan-2-amine (PubChem CID 105373655) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-3,3-dimethylbutan-2-amine
PubChem CID105373655
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name1-(5-fluoro-2-methylphenyl)-3,3-dimethylbutan-2-amine
SMILESCc1ccc(F)cc1CC(N)C(C)(C)C
InChIInChI=1S/C13H20FN/c1-9-5-6-11(14)7-10(9)8-12(15)13(2,3)4/h5-7,12H,8,15H2,1-4H3
InChIKeyWAZWHZONTNDMFD-UHFFFAOYSA-N
XLogP3.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-difluorophenyl)-3,3-dimethylbutan-2-amine
CID 62195909
4-(5-fluoro-2-methylphenyl)-3-methylbutan-2-amine
CID 105372310
1-(4-tert-butylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105376976
1-(3,5-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373778
1-(5-fluoro-2-methylphenyl)-4,6,6-trimethylheptan-2-amine
CID 105377488
1-(3,4-dimethylphenyl)-3-(5-fluoro-2-methylphenyl)propan-2-amine
CID 105373859
[1-(5-fluoro-2-methylphenyl)-4,4-dimethylpentan-2-yl]hydrazine
CID 105377796
4-[1-amino-2-(5-fluoro-2-methylphenyl)ethyl]-N,N-dimethylaniline
CID 105377477
1-(3,4-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373640
2-(5-fluoro-2-methylphenyl)-1-pyrimidin-2-ylethanamine
CID 105373657
1-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-2-amine
CID 105373749
1-(5-fluoro-2-methylphenyl)nonan-2-amine
CID 105377125

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-3,3-dimethylbutan-2-amine?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-3,3-dimethylbutan-2-amine (CID 105373655) is 1-(5-fluoro-2-methylphenyl)-3,3-dimethylbutan-2-amine.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-3,3-dimethylbutan-2-amine?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-3,3-dimethylbutan-2-amine is Cc1ccc(F)cc1CC(N)C(C)(C)C.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-3,3-dimethylbutan-2-amine?
The InChIKey is WAZWHZONTNDMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN/c1-9-5-6-11(14)7-10(9)8-12(15)13(2,3)4/h5-7,12H,8,15H2,1-4H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-3,3-dimethylbutan-2-amine?
1-(5-fluoro-2-methylphenyl)-3,3-dimethylbutan-2-amine has a molecular weight of 209.31 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 105373655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).