1,1-difluoro-2-methyl-1-(3-methylphenyl)propan-2-amine

C11H15F2N — CID 105452057

IUPAC1,1-difluoro-2-methyl-1-(3-methylphenyl)propan-2-amine
SMILESCc1cccc(C(F)(F)C(C)(C)N)c1
InChIInChI=1S/C11H15F2N/c1-8-5-4-6-9(7-8)11(12,13)10(2,3)14/h4-7H,14H2,1-3H3
InChIKeyXOJFXSCJEQJZBX-UHFFFAOYSA-N
MW199.24 g/mol
LogP2.82
Rot. Bonds2

About 1,1-difluoro-2-methyl-1-(3-methylphenyl)propan-2-amine

1,1-difluoro-2-methyl-1-(3-methylphenyl)propan-2-amine (PubChem CID 105452057) has the molecular formula C11H15F2N and a molecular weight of 199.24 g/mol. Its IUPAC name is 1,1-difluoro-2-methyl-1-(3-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-2-methyl-1-(3-methylphenyl)propan-2-amine
PubChem CID105452057
Molecular FormulaC11H15F2N
Molecular Weight199.24 g/mol
Exact Mass199.12
IUPAC Name1,1-difluoro-2-methyl-1-(3-methylphenyl)propan-2-amine
SMILESCc1cccc(C(F)(F)C(C)(C)N)c1
InChIInChI=1S/C11H15F2N/c1-8-5-4-6-9(7-8)11(12,13)10(2,3)14/h4-7H,14H2,1-3H3
InChIKeyXOJFXSCJEQJZBX-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1,1,2,2,3,3-hexafluoro-3-(3-methylphenyl)propyl]-3-methylbenzene
CID 163492269
1-(3-methylphenyl)ethane-1,1-diamine
CID 70165024
1-methyl-3-[1,1,2,2-tetrafluoro-2-[4-(1,1,2,2-tetrafluoropropyl)phenyl]ethyl]benzene
CID 158300208
3-(2-amino-1,1-difluoro-2-methylpropyl)phenol
CID 105453347
1,1-difluoro-2-methyl-1-(6-methylnaphthalen-2-yl)propan-2-amine
CID 116839473
1-(2-fluorobut-3-en-2-yl)-3-methylbenzene
CID 138579646
2-amino-3,3,3-trifluoro-2-(3-methylphenyl)propan-1-ol
CID 130021958
1,2,4,5-tetrafluoro-3-methyl-6-[1,1,2,2-tetrafluoro-2-(3-methylphenyl)ethyl]benzene
CID 101027772
2-methyl-2-(3-methylphenyl)propan-1-amine
CID 47002400
2,2-diamino-2-(3-methylphenyl)ethanol
CID 174833042
1-[difluoro-(3-methylphenyl)methyl]-4-methylbenzene;1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene
CID 143856845
2,3,3,3-tetrafluoro-2-(3-methylphenyl)propan-1-amine
CID 84735272

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-methyl-1-(3-methylphenyl)propan-2-amine?
The IUPAC name of 1,1-difluoro-2-methyl-1-(3-methylphenyl)propan-2-amine (CID 105452057) is 1,1-difluoro-2-methyl-1-(3-methylphenyl)propan-2-amine.
What is the SMILES notation for 1,1-difluoro-2-methyl-1-(3-methylphenyl)propan-2-amine?
The canonical SMILES for 1,1-difluoro-2-methyl-1-(3-methylphenyl)propan-2-amine is Cc1cccc(C(F)(F)C(C)(C)N)c1.
What is the InChIKey of 1,1-difluoro-2-methyl-1-(3-methylphenyl)propan-2-amine?
The InChIKey is XOJFXSCJEQJZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N/c1-8-5-4-6-9(7-8)11(12,13)10(2,3)14/h4-7H,14H2,1-3H3.
What are the key properties of 1,1-difluoro-2-methyl-1-(3-methylphenyl)propan-2-amine?
1,1-difluoro-2-methyl-1-(3-methylphenyl)propan-2-amine has a molecular weight of 199.24 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-methyl-1-(3-methylphenyl)propan-2-amine is sourced from PubChem (CID 105452057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).