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

C11H15F2N — CID 103759785

IUPAC1,1-difluoro-N-methyl-3-(3-methylphenyl)propan-2-amine
SMILESCNC(Cc1cccc(C)c1)C(F)F
InChIInChI=1S/C11H15F2N/c1-8-4-3-5-9(6-8)7-10(14-2)11(12)13/h3-6,10-11,14H,7H2,1-2H3
InChIKeyCRPRURRVMXGQIG-UHFFFAOYSA-N
MW199.24 g/mol
LogP2.39
Rot. Bonds4

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

1,1-difluoro-N-methyl-3-(3-methylphenyl)propan-2-amine (PubChem CID 103759785) has the molecular formula C11H15F2N and a molecular weight of 199.24 g/mol. Its IUPAC name is 1,1-difluoro-N-methyl-3-(3-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-N-methyl-3-(3-methylphenyl)propan-2-amine
PubChem CID103759785
Molecular FormulaC11H15F2N
Molecular Weight199.24 g/mol
Exact Mass199.12
IUPAC Name1,1-difluoro-N-methyl-3-(3-methylphenyl)propan-2-amine
SMILESCNC(Cc1cccc(C)c1)C(F)F
InChIInChI=1S/C11H15F2N/c1-8-4-3-5-9(6-8)7-10(14-2)11(12)13/h3-6,10-11,14H,7H2,1-2H3
InChIKeyCRPRURRVMXGQIG-UHFFFAOYSA-N
XLogP2.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,4,4-trifluoro-N-methyl-1-(3-methylphenyl)-3-(trifluoromethyl)butan-2-amine
CID 103311694
3-(3-bromophenyl)-1,1-difluoro-N-methylpropan-2-amine
CID 103759748
N-methyl-1-(3-methylphenyl)-3-methylsulfonylbutan-2-amine
CID 113422160
1,1-difluoro-3-(3-methylphenyl)propan-2-amine
CID 84660101
1-(4-fluoro-2-methylpentyl)-3-methylbenzene
CID 159383245
[1,1-dimethoxy-3-(3-methylphenyl)propan-2-yl]hydrazine
CID 105245974
3-(4-tert-butylphenyl)-1,1-difluoro-N-methylpropan-2-amine
CID 103516515
1-(furan-2-yl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 62389574
[1,1,1-trifluoro-3-(3-methylphenyl)propan-2-yl]hydrazine
CID 105215650
2-[(3,5-difluorophenyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 105408067
N-methyl-2-[(3-methylphenyl)methylsulfanyl]pentan-3-amine
CID 64634189
1-(3-bromophenyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 60818684

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-methyl-3-(3-methylphenyl)propan-2-amine?
The IUPAC name of 1,1-difluoro-N-methyl-3-(3-methylphenyl)propan-2-amine (CID 103759785) is 1,1-difluoro-N-methyl-3-(3-methylphenyl)propan-2-amine.
What is the SMILES notation for 1,1-difluoro-N-methyl-3-(3-methylphenyl)propan-2-amine?
The canonical SMILES for 1,1-difluoro-N-methyl-3-(3-methylphenyl)propan-2-amine is CNC(Cc1cccc(C)c1)C(F)F.
What is the InChIKey of 1,1-difluoro-N-methyl-3-(3-methylphenyl)propan-2-amine?
The InChIKey is CRPRURRVMXGQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N/c1-8-4-3-5-9(6-8)7-10(14-2)11(12)13/h3-6,10-11,14H,7H2,1-2H3.
What are the key properties of 1,1-difluoro-N-methyl-3-(3-methylphenyl)propan-2-amine?
1,1-difluoro-N-methyl-3-(3-methylphenyl)propan-2-amine has a molecular weight of 199.24 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-methyl-3-(3-methylphenyl)propan-2-amine is sourced from PubChem (CID 103759785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).