2,2-difluoro-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine

C13H19F2N — CID 115406032

IUPAC2,2-difluoro-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
SMILESCC(C)Cc1ccc(CNCC(F)F)cc1
InChIInChI=1S/C13H19F2N/c1-10(2)7-11-3-5-12(6-4-11)8-16-9-13(14)15/h3-6,10,13,16H,7-9H2,1-2H3
InChIKeyWTFPWHVDACJADX-UHFFFAOYSA-N
MW227.30 g/mol
LogP3.24
Rot. Bonds6

About 2,2-difluoro-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine

2,2-difluoro-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine (PubChem CID 115406032) has the molecular formula C13H19F2N and a molecular weight of 227.30 g/mol. Its IUPAC name is 2,2-difluoro-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
PubChem CID115406032
Molecular FormulaC13H19F2N
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2,2-difluoro-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
SMILESCC(C)Cc1ccc(CNCC(F)F)cc1
InChIInChI=1S/C13H19F2N/c1-10(2)7-11-3-5-12(6-4-11)8-16-9-13(14)15/h3-6,10,13,16H,7-9H2,1-2H3
InChIKeyWTFPWHVDACJADX-UHFFFAOYSA-N
XLogP3.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(2-methylpropyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]methanamine
CID 101376934
1,1-difluoro-3-[[4-(2-methylpropyl)phenyl]methylamino]propan-2-ol
CID 103748523
N-[(4-tert-butylphenyl)methyl]-2,2-difluoroethanamine
CID 115405867
N-[[4-(2-methylpropyl)phenyl]methyl]propan-1-amine
CID 63888318
4-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]phenol
CID 115688990
2-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]butan-1-ol
CID 115250761
N-[[4-(difluoromethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 115523367
2-chloro-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 115214797
N-[[4-(2-methylpropyl)phenyl]methyl]-2-phenylethanamine
CID 79017859
2,2-difluoro-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine
CID 115405900
3-methyl-N-[[4-(2-methylpropyl)phenyl]methyl]but-2-en-1-amine
CID 106180560
2-methyl-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 4725253

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine?
The IUPAC name of 2,2-difluoro-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine (CID 115406032) is 2,2-difluoro-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine.
What is the SMILES notation for 2,2-difluoro-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine?
The canonical SMILES for 2,2-difluoro-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine is CC(C)Cc1ccc(CNCC(F)F)cc1.
What is the InChIKey of 2,2-difluoro-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine?
The InChIKey is WTFPWHVDACJADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N/c1-10(2)7-11-3-5-12(6-4-11)8-16-9-13(14)15/h3-6,10,13,16H,7-9H2,1-2H3.
What are the key properties of 2,2-difluoro-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine?
2,2-difluoro-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine has a molecular weight of 227.30 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 115406032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).