1-(2,5-dimethoxyphenyl)-1,1-difluoro-2-methylpropan-2-amine

C12H17F2NO2 — CID 116839369

IUPAC1-(2,5-dimethoxyphenyl)-1,1-difluoro-2-methylpropan-2-amine
SMILESCOc1ccc(OC)c(C(F)(F)C(C)(C)N)c1
InChIInChI=1S/C12H17F2NO2/c1-11(2,15)12(13,14)9-7-8(16-3)5-6-10(9)17-4/h5-7H,15H2,1-4H3
InChIKeyJKXUQCUOLRSBCN-UHFFFAOYSA-N
MW245.27 g/mol
LogP2.53
Rot. Bonds4

About 1-(2,5-dimethoxyphenyl)-1,1-difluoro-2-methylpropan-2-amine

1-(2,5-dimethoxyphenyl)-1,1-difluoro-2-methylpropan-2-amine (PubChem CID 116839369) has the molecular formula C12H17F2NO2 and a molecular weight of 245.27 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-1,1-difluoro-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-1,1-difluoro-2-methylpropan-2-amine
PubChem CID116839369
Molecular FormulaC12H17F2NO2
Molecular Weight245.27 g/mol
Exact Mass245.12
IUPAC Name1-(2,5-dimethoxyphenyl)-1,1-difluoro-2-methylpropan-2-amine
SMILESCOc1ccc(OC)c(C(F)(F)C(C)(C)N)c1
InChIInChI=1S/C12H17F2NO2/c1-11(2,15)12(13,14)9-7-8(16-3)5-6-10(9)17-4/h5-7H,15H2,1-4H3
InChIKeyJKXUQCUOLRSBCN-UHFFFAOYSA-N
XLogP2.53
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-1-(2,5-dimethoxyphenyl)ethanamine
CID 82239533
2-(2,5-dimethoxyphenyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 43830167
2-[4-methoxy-2-(trifluoromethyl)phenyl]propan-2-amine
CID 117337731
2-(1-chloro-2-methylpropan-2-yl)-1,4-dimethoxybenzene
CID 82081447
2-(2,5-dimethoxyphenyl)-2-methylpropanal
CID 82077627
1,1-difluoro-1-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine
CID 116839392
3-amino-2-(2,5-dimethoxyphenyl)-1,1,1-trifluorobutan-2-ol
CID 63083616
2-(2,5-dimethoxyphenyl)-3-N,3-N-diethylpentane-2,3-diamine
CID 43830158
1-(3-chlorophenyl)-1-(2,5-dimethoxyphenyl)ethanamine
CID 62801327
methyl 3-(2,5-dimethoxyphenyl)-3-hydroxy-2-propan-2-ylbutanoate
CID 62395777
1-(5-fluoro-2-methoxyphenyl)-1-(4-methoxyphenyl)ethanamine
CID 82769168
3-(2,5-dimethoxyphenyl)-2-N,2-N,4-trimethylpentane-2,3-diamine
CID 43830152

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-1,1-difluoro-2-methylpropan-2-amine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-1,1-difluoro-2-methylpropan-2-amine (CID 116839369) is 1-(2,5-dimethoxyphenyl)-1,1-difluoro-2-methylpropan-2-amine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-1,1-difluoro-2-methylpropan-2-amine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-1,1-difluoro-2-methylpropan-2-amine is COc1ccc(OC)c(C(F)(F)C(C)(C)N)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-1,1-difluoro-2-methylpropan-2-amine?
The InChIKey is JKXUQCUOLRSBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO2/c1-11(2,15)12(13,14)9-7-8(16-3)5-6-10(9)17-4/h5-7H,15H2,1-4H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-1,1-difluoro-2-methylpropan-2-amine?
1-(2,5-dimethoxyphenyl)-1,1-difluoro-2-methylpropan-2-amine has a molecular weight of 245.27 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-1,1-difluoro-2-methylpropan-2-amine is sourced from PubChem (CID 116839369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).