N-[(2,4-dimethoxy-3-propan-2-ylphenyl)methyl]-2,2-difluoro-N-methylethanamine

C15H23F2NO2 — CID 170587356

IUPACN-[(2,4-dimethoxy-3-propan-2-ylphenyl)methyl]-2,2-difluoro-N-methylethanamine
SMILESCOc1ccc(CN(C)CC(F)F)c(OC)c1C(C)C
InChIInChI=1S/C15H23F2NO2/c1-10(2)14-12(19-4)7-6-11(15(14)20-5)8-18(3)9-13(16)17/h6-7,10,13H,8-9H2,1-5H3
InChIKeyGXBAEUYRDAEODT-UHFFFAOYSA-N
MW287.35 g/mol
LogP3.52
Rot. Bonds7

About N-[(2,4-dimethoxy-3-propan-2-ylphenyl)methyl]-2,2-difluoro-N-methylethanamine

N-[(2,4-dimethoxy-3-propan-2-ylphenyl)methyl]-2,2-difluoro-N-methylethanamine (PubChem CID 170587356) has the molecular formula C15H23F2NO2 and a molecular weight of 287.35 g/mol. Its IUPAC name is N-[(2,4-dimethoxy-3-propan-2-ylphenyl)methyl]-2,2-difluoro-N-methylethanamine.

Molecular Properties

Compound NameN-[(2,4-dimethoxy-3-propan-2-ylphenyl)methyl]-2,2-difluoro-N-methylethanamine
PubChem CID170587356
Molecular FormulaC15H23F2NO2
Molecular Weight287.35 g/mol
Exact Mass287.17
IUPAC NameN-[(2,4-dimethoxy-3-propan-2-ylphenyl)methyl]-2,2-difluoro-N-methylethanamine
SMILESCOc1ccc(CN(C)CC(F)F)c(OC)c1C(C)C
InChIInChI=1S/C15H23F2NO2/c1-10(2)14-12(19-4)7-6-11(15(14)20-5)8-18(3)9-13(16)17/h6-7,10,13H,8-9H2,1-5H3
InChIKeyGXBAEUYRDAEODT-UHFFFAOYSA-N
XLogP3.52
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethoxy-3-propan-2-ylphenyl)ethanamine
CID 117320406
1-[(2,4-dimethoxy-3-propan-2-ylphenyl)methyl]-3,3-difluoroazetidine
CID 170587319
N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine
CID 71002758
3-N-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-N-methylpropane-1,2,3-triamine
CID 115119860
1-amino-3-[(4-methoxy-2,3-dimethylphenyl)methyl-methylamino]propan-2-ol
CID 115121516
N-[(3-ethyl-2,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine
CID 170587995
2-ethyl-N'-[(4-methoxy-2,3-dimethylphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 115251582
2-[[2,2-difluoroethyl(methyl)amino]methyl]phenol
CID 115624862
1-[2,6-dimethoxy-3-(methoxymethyl)phenyl]ethanol
CID 117325544
2-(2,4-dimethoxy-3-propan-2-ylphenyl)propan-1-amine
CID 117347645
3-[(4,8-dimethoxynaphthalen-1-yl)methyl-methylamino]propane-1,2-diol
CID 77094953
2-(3,4-dimethoxy-2-propan-2-ylphenyl)acetonitrile
CID 19838196

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxy-3-propan-2-ylphenyl)methyl]-2,2-difluoro-N-methylethanamine?
The IUPAC name of N-[(2,4-dimethoxy-3-propan-2-ylphenyl)methyl]-2,2-difluoro-N-methylethanamine (CID 170587356) is N-[(2,4-dimethoxy-3-propan-2-ylphenyl)methyl]-2,2-difluoro-N-methylethanamine.
What is the SMILES notation for N-[(2,4-dimethoxy-3-propan-2-ylphenyl)methyl]-2,2-difluoro-N-methylethanamine?
The canonical SMILES for N-[(2,4-dimethoxy-3-propan-2-ylphenyl)methyl]-2,2-difluoro-N-methylethanamine is COc1ccc(CN(C)CC(F)F)c(OC)c1C(C)C.
What is the InChIKey of N-[(2,4-dimethoxy-3-propan-2-ylphenyl)methyl]-2,2-difluoro-N-methylethanamine?
The InChIKey is GXBAEUYRDAEODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO2/c1-10(2)14-12(19-4)7-6-11(15(14)20-5)8-18(3)9-13(16)17/h6-7,10,13H,8-9H2,1-5H3.
What are the key properties of N-[(2,4-dimethoxy-3-propan-2-ylphenyl)methyl]-2,2-difluoro-N-methylethanamine?
N-[(2,4-dimethoxy-3-propan-2-ylphenyl)methyl]-2,2-difluoro-N-methylethanamine has a molecular weight of 287.35 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxy-3-propan-2-ylphenyl)methyl]-2,2-difluoro-N-methylethanamine is sourced from PubChem (CID 170587356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).