2,2-difluoro-N-methyl-3-(4-methylphenyl)propan-1-amine

C11H15F2N — CID 105452062

IUPAC2,2-difluoro-N-methyl-3-(4-methylphenyl)propan-1-amine
SMILESCNCC(F)(F)Cc1ccc(C)cc1
InChIInChI=1S/C11H15F2N/c1-9-3-5-10(6-4-9)7-11(12,13)8-14-2/h3-6,14H,7-8H2,1-2H3
InChIKeyHODGBWQWNAGTJA-UHFFFAOYSA-N
MW199.24 g/mol
LogP2.39
Rot. Bonds4

About 2,2-difluoro-N-methyl-3-(4-methylphenyl)propan-1-amine

2,2-difluoro-N-methyl-3-(4-methylphenyl)propan-1-amine (PubChem CID 105452062) has the molecular formula C11H15F2N and a molecular weight of 199.24 g/mol. Its IUPAC name is 2,2-difluoro-N-methyl-3-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2,2-difluoro-N-methyl-3-(4-methylphenyl)propan-1-amine
PubChem CID105452062
Molecular FormulaC11H15F2N
Molecular Weight199.24 g/mol
Exact Mass199.12
IUPAC Name2,2-difluoro-N-methyl-3-(4-methylphenyl)propan-1-amine
SMILESCNCC(F)(F)Cc1ccc(C)cc1
InChIInChI=1S/C11H15F2N/c1-9-3-5-10(6-4-9)7-11(12,13)8-14-2/h3-6,14H,7-8H2,1-2H3
InChIKeyHODGBWQWNAGTJA-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-[2,2-difluoro-3-(methylamino)propyl]phenol
CID 105453352
N,2-dimethyl-2-[(4-methylphenyl)methyl]butan-1-amine
CID 62723481
ethane;1-methyl-4-(2,2,2-trifluoroethyl)benzene
CID 143144792
2,2-difluoro-3-(3-fluorophenyl)-N-methylpropan-1-amine
CID 105455069
1-(2,2-difluoropropyl)-4-methylbenzene;ethane;methanol
CID 143347604
2,2-difluoro-3-(4-methylphenyl)propanal
CID 105440973
1-N,2-N,2-trimethyl-2-N-[(4-methylphenyl)methyl]propane-1,2-diamine
CID 115132783
2,2-difluoro-3-(4-methylphenyl)propanoyl chloride
CID 105473373
N-ethyl-2,2-dimethyl-3-(4-methylphenyl)propan-1-amine
CID 62726135
2-chloro-2,2-difluoro-N-[(4-methylphenyl)methyl]ethanamine
CID 23656680
2-fluoro-N,2-dimethyl-3-(3-methylphenyl)propan-1-amine
CID 105449360
1-N-[(4-methylphenyl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine
CID 60925358

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-methyl-3-(4-methylphenyl)propan-1-amine?
The IUPAC name of 2,2-difluoro-N-methyl-3-(4-methylphenyl)propan-1-amine (CID 105452062) is 2,2-difluoro-N-methyl-3-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for 2,2-difluoro-N-methyl-3-(4-methylphenyl)propan-1-amine?
The canonical SMILES for 2,2-difluoro-N-methyl-3-(4-methylphenyl)propan-1-amine is CNCC(F)(F)Cc1ccc(C)cc1.
What is the InChIKey of 2,2-difluoro-N-methyl-3-(4-methylphenyl)propan-1-amine?
The InChIKey is HODGBWQWNAGTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N/c1-9-3-5-10(6-4-9)7-11(12,13)8-14-2/h3-6,14H,7-8H2,1-2H3.
What are the key properties of 2,2-difluoro-N-methyl-3-(4-methylphenyl)propan-1-amine?
2,2-difluoro-N-methyl-3-(4-methylphenyl)propan-1-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 2,2-difluoro-N-methyl-3-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 105452062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).