1-(2,5-difluoro-4-methoxyphenyl)-2-methylpropan-2-amine

C11H15F2NO — CID 82648003

IUPAC1-(2,5-difluoro-4-methoxyphenyl)-2-methylpropan-2-amine
SMILESCOc1cc(F)c(CC(C)(C)N)cc1F
InChIInChI=1S/C11H15F2NO/c1-11(2,14)6-7-4-9(13)10(15-3)5-8(7)12/h4-5H,6,14H2,1-3H3
InChIKeyWBKRNUQRYGQGDQ-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.25
Rot. Bonds3

About 1-(2,5-difluoro-4-methoxyphenyl)-2-methylpropan-2-amine

1-(2,5-difluoro-4-methoxyphenyl)-2-methylpropan-2-amine (PubChem CID 82648003) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 1-(2,5-difluoro-4-methoxyphenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2,5-difluoro-4-methoxyphenyl)-2-methylpropan-2-amine
PubChem CID82648003
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name1-(2,5-difluoro-4-methoxyphenyl)-2-methylpropan-2-amine
SMILESCOc1cc(F)c(CC(C)(C)N)cc1F
InChIInChI=1S/C11H15F2NO/c1-11(2,14)6-7-4-9(13)10(15-3)5-8(7)12/h4-5H,6,14H2,1-3H3
InChIKeyWBKRNUQRYGQGDQ-UHFFFAOYSA-N
XLogP2.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-fluoro-5-methoxyphenyl)-2-methylpropan-2-amine
CID 84810981
2-methyl-1-(2,3,6-trifluoro-5-methoxyphenyl)propan-2-amine
CID 117337721
(2,5-difluoro-4-methoxyphenyl)methylhydrazine
CID 116932362
2-N-[(2,5-difluoro-4-methoxyphenyl)methyl]-2-methylpropane-1,2-diamine
CID 115131971
1-(2-ethyl-4,5-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117347568
1-(2,5-difluoro-4-methylsulfonylphenyl)-2-methylpropan-2-amine
CID 117412591
1-N-(2,5-difluoro-4-methoxyphenyl)-3-methylbutane-1,3-diamine
CID 115200419
2-[2-(2,5-difluoro-4-methoxyphenyl)ethylamino]-2-methylpropanenitrile
CID 115129623
1-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine
CID 82126568
3-(2-amino-2-methylpropyl)-4-methoxyaniline
CID 84665627
1-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117491337
1-(2-fluoro-3,4-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117327193

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluoro-4-methoxyphenyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(2,5-difluoro-4-methoxyphenyl)-2-methylpropan-2-amine (CID 82648003) is 1-(2,5-difluoro-4-methoxyphenyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(2,5-difluoro-4-methoxyphenyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(2,5-difluoro-4-methoxyphenyl)-2-methylpropan-2-amine is COc1cc(F)c(CC(C)(C)N)cc1F.
What is the InChIKey of 1-(2,5-difluoro-4-methoxyphenyl)-2-methylpropan-2-amine?
The InChIKey is WBKRNUQRYGQGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-11(2,14)6-7-4-9(13)10(15-3)5-8(7)12/h4-5H,6,14H2,1-3H3.
What are the key properties of 1-(2,5-difluoro-4-methoxyphenyl)-2-methylpropan-2-amine?
1-(2,5-difluoro-4-methoxyphenyl)-2-methylpropan-2-amine has a molecular weight of 215.24 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluoro-4-methoxyphenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 82648003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).