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

C11H15F2N — CID 107514700

IUPAC2-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-amine
SMILESCc1ccc(C(C)(C)CN)c(F)c1F
InChIInChI=1S/C11H15F2N/c1-7-4-5-8(10(13)9(7)12)11(2,3)6-14/h4-5H,6,14H2,1-3H3
InChIKeyWMOXQSXGXOBNOS-UHFFFAOYSA-N
MW199.24 g/mol
LogP2.51
Rot. Bonds2

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

2-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-amine (PubChem CID 107514700) has the molecular formula C11H15F2N and a molecular weight of 199.24 g/mol. Its IUPAC name is 2-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-amine
PubChem CID107514700
Molecular FormulaC11H15F2N
Molecular Weight199.24 g/mol
Exact Mass199.12
IUPAC Name2-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-amine
SMILESCc1ccc(C(C)(C)CN)c(F)c1F
InChIInChI=1S/C11H15F2N/c1-7-4-5-8(10(13)9(7)12)11(2,3)6-14/h4-5H,6,14H2,1-3H3
InChIKeyWMOXQSXGXOBNOS-UHFFFAOYSA-N
XLogP2.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-fluoro-3-methylphenyl)-2-methylpropan-1-amine
CID 83696433
2-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-ol
CID 117289363
2-(2,3-difluoro-4-methylphenyl)-2-fluoro-3-methylbutan-1-amine
CID 107514807
1-(4-chloro-2-methylpentan-2-yl)-2,3-difluoro-4-methylbenzene
CID 107514442
2-(4-tert-butyl-2-methylphenyl)-2-methylpropan-1-amine
CID 82472490
2-(2,3-difluoro-4-methylphenyl)-4-(methylamino)butan-2-ol
CID 107514658
2,3-difluoro-1-(2-methylbutan-2-yl)-4-(3-methylpentan-3-yl)benzene
CID 126703972
1-amino-2-(2,6-difluoro-3-methylphenyl)propan-2-ol
CID 82819317
2-fluoro-2-(4-fluoro-2-methylphenyl)propan-1-amine
CID 112565193
2-fluoro-1-methyl-3-(2-methylbutan-2-yl)benzene
CID 134560935
6-(2-aminopropan-2-yl)-2-fluoro-3-methylphenol
CID 117279619
1-(2,3-difluoro-4-methylphenyl)-1-(4-methoxyphenyl)ethanamine
CID 107512472

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-amine?
The IUPAC name of 2-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-amine (CID 107514700) is 2-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-amine is Cc1ccc(C(C)(C)CN)c(F)c1F.
What is the InChIKey of 2-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-amine?
The InChIKey is WMOXQSXGXOBNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N/c1-7-4-5-8(10(13)9(7)12)11(2,3)6-14/h4-5H,6,14H2,1-3H3.
What are the key properties of 2-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-amine?
2-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-amine has a molecular weight of 199.24 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 107514700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).