2-[4-(3,3-difluoropropyl)phenyl]-N-methylethanamine

C12H17F2N — CID 117304334

IUPAC2-[4-(3,3-difluoropropyl)phenyl]-N-methylethanamine
SMILESCNCCc1ccc(CCC(F)F)cc1
InChIInChI=1S/C12H17F2N/c1-15-9-8-11-4-2-10(3-5-11)6-7-12(13)14/h2-5,12,15H,6-9H2,1H3
InChIKeyXLUFWSVWQKCJLW-UHFFFAOYSA-N
MW213.27 g/mol
LogP2.65
Rot. Bonds6

About 2-[4-(3,3-difluoropropyl)phenyl]-N-methylethanamine

2-[4-(3,3-difluoropropyl)phenyl]-N-methylethanamine (PubChem CID 117304334) has the molecular formula C12H17F2N and a molecular weight of 213.27 g/mol. Its IUPAC name is 2-[4-(3,3-difluoropropyl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-(3,3-difluoropropyl)phenyl]-N-methylethanamine
PubChem CID117304334
Molecular FormulaC12H17F2N
Molecular Weight213.27 g/mol
Exact Mass213.13
IUPAC Name2-[4-(3,3-difluoropropyl)phenyl]-N-methylethanamine
SMILESCNCCc1ccc(CCC(F)F)cc1
InChIInChI=1S/C12H17F2N/c1-15-9-8-11-4-2-10(3-5-11)6-7-12(13)14/h2-5,12,15H,6-9H2,1H3
InChIKeyXLUFWSVWQKCJLW-UHFFFAOYSA-N
XLogP2.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[4-[2-(methylamino)ethyl]phenyl]propyl thiohypofluorite
CID 138502739
ethane;N-methyl-2-(4-propylphenyl)ethanamine
CID 143565028
2-[4-[2-(fluoroamino)ethyl]phenyl]-N-methylethanamine
CID 155050815
1-(3,3-difluoropropyl)-4-methylbenzene
CID 142361339
ethane;N-methyl-2-[4-(methylaminomethyl)phenyl]ethanamine
CID 145117697
1-[4-(3,3-difluoropropyl)phenyl]-N-methoxymethanamine
CID 117306564
2-[4-(1,1-difluoropropyl)phenyl]-N-methylethanamine
CID 116991893
2-[4-(2-fluoropropan-2-yl)phenyl]-N-methylethanamine
CID 84666441
N-methylmethanamine;N-methyl-2-phenylethanamine
CID 22563284
1-[4-(3,3-difluoropropyl)phenyl]-2-methylpropan-2-amine
CID 117327303
2-[4-(dimethoxymethyl)phenyl]-N-methylethanamine
CID 84780792
N-methyl-2-phenylethanamine;ytterbium(3+);trifluoride
CID 175294830

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,3-difluoropropyl)phenyl]-N-methylethanamine?
The IUPAC name of 2-[4-(3,3-difluoropropyl)phenyl]-N-methylethanamine (CID 117304334) is 2-[4-(3,3-difluoropropyl)phenyl]-N-methylethanamine.
What is the SMILES notation for 2-[4-(3,3-difluoropropyl)phenyl]-N-methylethanamine?
The canonical SMILES for 2-[4-(3,3-difluoropropyl)phenyl]-N-methylethanamine is CNCCc1ccc(CCC(F)F)cc1.
What is the InChIKey of 2-[4-(3,3-difluoropropyl)phenyl]-N-methylethanamine?
The InChIKey is XLUFWSVWQKCJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N/c1-15-9-8-11-4-2-10(3-5-11)6-7-12(13)14/h2-5,12,15H,6-9H2,1H3.
What are the key properties of 2-[4-(3,3-difluoropropyl)phenyl]-N-methylethanamine?
2-[4-(3,3-difluoropropyl)phenyl]-N-methylethanamine has a molecular weight of 213.27 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,3-difluoropropyl)phenyl]-N-methylethanamine is sourced from PubChem (CID 117304334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).