1-(2,5-dimethoxy-3,4-dimethylphenyl)-1,1-difluoropropan-2-amine

C13H19F2NO2 — CID 116839351

IUPAC1-(2,5-dimethoxy-3,4-dimethylphenyl)-1,1-difluoropropan-2-amine
SMILESCOc1cc(C(F)(F)C(C)N)c(OC)c(C)c1C
InChIInChI=1S/C13H19F2NO2/c1-7-8(2)12(18-5)10(6-11(7)17-4)13(14,15)9(3)16/h6,9H,16H2,1-5H3
InChIKeyBSMVYSARVAZLRU-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.76
Rot. Bonds4

About 1-(2,5-dimethoxy-3,4-dimethylphenyl)-1,1-difluoropropan-2-amine

1-(2,5-dimethoxy-3,4-dimethylphenyl)-1,1-difluoropropan-2-amine (PubChem CID 116839351) has the molecular formula C13H19F2NO2 and a molecular weight of 259.30 g/mol. Its IUPAC name is 1-(2,5-dimethoxy-3,4-dimethylphenyl)-1,1-difluoropropan-2-amine.

Molecular Properties

Compound Name1-(2,5-dimethoxy-3,4-dimethylphenyl)-1,1-difluoropropan-2-amine
PubChem CID116839351
Molecular FormulaC13H19F2NO2
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name1-(2,5-dimethoxy-3,4-dimethylphenyl)-1,1-difluoropropan-2-amine
SMILESCOc1cc(C(F)(F)C(C)N)c(OC)c(C)c1C
InChIInChI=1S/C13H19F2NO2/c1-7-8(2)12(18-5)10(6-11(7)17-4)13(14,15)9(3)16/h6,9H,16H2,1-5H3
InChIKeyBSMVYSARVAZLRU-UHFFFAOYSA-N
XLogP2.76
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]ethanamine
CID 84706946
1-(3-bromo-4-methoxyphenyl)-1,1-difluoropropan-2-amine
CID 116839256
1-N-(2,5-dimethoxy-3,4-dimethylphenyl)propane-1,2-diamine
CID 115196355
(1S)-1-(4-methoxy-2,3,6-trimethylphenyl)ethanamine
CID 95423636
2-(3-bromo-2,5-dimethoxy-4-methylphenyl)propan-2-amine
CID 117465358
1-(4,5-dimethoxy-2,3-dimethylphenyl)propan-2-amine
CID 117320597
(1S)-2,2,2-trifluoro-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 66512237
2,5-dimethoxy-3,4-dimethyl-N-(2,2,2-trifluoroethyl)aniline
CID 115257712
1-[2,3-dimethoxy-6-(trifluoromethyl)phenyl]ethanamine
CID 84706950
2,5-dimethoxy-3,4-dimethylphenol
CID 84658444
2,4-dimethoxy-3-methyl-6-propan-2-ylaniline
CID 102416676
1-methoxy-2,3,5-trimethyl-4-(trifluoromethyl)benzene
CID 116964846

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxy-3,4-dimethylphenyl)-1,1-difluoropropan-2-amine?
The IUPAC name of 1-(2,5-dimethoxy-3,4-dimethylphenyl)-1,1-difluoropropan-2-amine (CID 116839351) is 1-(2,5-dimethoxy-3,4-dimethylphenyl)-1,1-difluoropropan-2-amine.
What is the SMILES notation for 1-(2,5-dimethoxy-3,4-dimethylphenyl)-1,1-difluoropropan-2-amine?
The canonical SMILES for 1-(2,5-dimethoxy-3,4-dimethylphenyl)-1,1-difluoropropan-2-amine is COc1cc(C(F)(F)C(C)N)c(OC)c(C)c1C.
What is the InChIKey of 1-(2,5-dimethoxy-3,4-dimethylphenyl)-1,1-difluoropropan-2-amine?
The InChIKey is BSMVYSARVAZLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO2/c1-7-8(2)12(18-5)10(6-11(7)17-4)13(14,15)9(3)16/h6,9H,16H2,1-5H3.
What are the key properties of 1-(2,5-dimethoxy-3,4-dimethylphenyl)-1,1-difluoropropan-2-amine?
1-(2,5-dimethoxy-3,4-dimethylphenyl)-1,1-difluoropropan-2-amine has a molecular weight of 259.30 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxy-3,4-dimethylphenyl)-1,1-difluoropropan-2-amine is sourced from PubChem (CID 116839351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).