2-[4-(1,1-difluoropropyl)phenyl]-N-methylethanamine

C12H17F2N — CID 116991893

IUPAC2-[4-(1,1-difluoropropyl)phenyl]-N-methylethanamine
SMILESCCC(F)(F)c1ccc(CCNC)cc1
InChIInChI=1S/C12H17F2N/c1-3-12(13,14)11-6-4-10(5-7-11)8-9-15-2/h4-7,15H,3,8-9H2,1-2H3
InChIKeyZZFIJIKTUSUHAK-UHFFFAOYSA-N
MW213.27 g/mol
LogP2.95
Rot. Bonds5

About 2-[4-(1,1-difluoropropyl)phenyl]-N-methylethanamine

2-[4-(1,1-difluoropropyl)phenyl]-N-methylethanamine (PubChem CID 116991893) has the molecular formula C12H17F2N and a molecular weight of 213.27 g/mol. Its IUPAC name is 2-[4-(1,1-difluoropropyl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-(1,1-difluoropropyl)phenyl]-N-methylethanamine
PubChem CID116991893
Molecular FormulaC12H17F2N
Molecular Weight213.27 g/mol
Exact Mass213.13
IUPAC Name2-[4-(1,1-difluoropropyl)phenyl]-N-methylethanamine
SMILESCCC(F)(F)c1ccc(CCNC)cc1
InChIInChI=1S/C12H17F2N/c1-3-12(13,14)11-6-4-10(5-7-11)8-9-15-2/h4-7,15H,3,8-9H2,1-2H3
InChIKeyZZFIJIKTUSUHAK-UHFFFAOYSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-(2-fluoropropan-2-yl)phenyl]-N-methylethanamine
CID 84666441
3,3-difluoro-N-methyl-3-(4-propylphenyl)propan-1-amine
CID 116838654
1-(2-chloroethyl)-4-(1,1-difluoropropyl)benzene
CID 116991930
[4-(1,1-difluoropropyl)phenyl]methanamine
CID 67499237
3-[4-(1,1-difluoro-3-methylbutyl)phenyl]-N-methylpropan-1-amine
CID 116992242
ethane;N-methyl-2-(4-propylphenyl)ethanamine
CID 143565028
2-[4-[2-(fluoroamino)ethyl]phenyl]-N-methylethanamine
CID 155050815
2-[4-(3,3-difluoropropyl)phenyl]-N-methylethanamine
CID 117304334
3-[4-[2-(methylamino)ethyl]phenyl]propyl thiohypofluorite
CID 138502739
4-[4-(1,1-difluoropropyl)phenyl]-N-methylaniline
CID 116991923
ethane;N-methyl-2-[4-(methylaminomethyl)phenyl]ethanamine
CID 145117697
3-(4-ethylsulfanylphenyl)-3,3-difluoro-N-methylpropan-1-amine
CID 116838713

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,1-difluoropropyl)phenyl]-N-methylethanamine?
The IUPAC name of 2-[4-(1,1-difluoropropyl)phenyl]-N-methylethanamine (CID 116991893) is 2-[4-(1,1-difluoropropyl)phenyl]-N-methylethanamine.
What is the SMILES notation for 2-[4-(1,1-difluoropropyl)phenyl]-N-methylethanamine?
The canonical SMILES for 2-[4-(1,1-difluoropropyl)phenyl]-N-methylethanamine is CCC(F)(F)c1ccc(CCNC)cc1.
What is the InChIKey of 2-[4-(1,1-difluoropropyl)phenyl]-N-methylethanamine?
The InChIKey is ZZFIJIKTUSUHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N/c1-3-12(13,14)11-6-4-10(5-7-11)8-9-15-2/h4-7,15H,3,8-9H2,1-2H3.
What are the key properties of 2-[4-(1,1-difluoropropyl)phenyl]-N-methylethanamine?
2-[4-(1,1-difluoropropyl)phenyl]-N-methylethanamine has a molecular weight of 213.27 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,1-difluoropropyl)phenyl]-N-methylethanamine is sourced from PubChem (CID 116991893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).