1-(4,5-difluoro-2-propan-2-yloxyphenyl)propan-2-amine

C12H17F2NO — CID 83893589

IUPAC1-(4,5-difluoro-2-propan-2-yloxyphenyl)propan-2-amine
SMILESCC(N)Cc1cc(F)c(F)cc1OC(C)C
InChIInChI=1S/C12H17F2NO/c1-7(2)16-12-6-11(14)10(13)5-9(12)4-8(3)15/h5-8H,4,15H2,1-3H3
InChIKeyKOKVKMOZTFDBCW-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.64
Rot. Bonds4

About 1-(4,5-difluoro-2-propan-2-yloxyphenyl)propan-2-amine

1-(4,5-difluoro-2-propan-2-yloxyphenyl)propan-2-amine (PubChem CID 83893589) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 1-(4,5-difluoro-2-propan-2-yloxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4,5-difluoro-2-propan-2-yloxyphenyl)propan-2-amine
PubChem CID83893589
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name1-(4,5-difluoro-2-propan-2-yloxyphenyl)propan-2-amine
SMILESCC(N)Cc1cc(F)c(F)cc1OC(C)C
InChIInChI=1S/C12H17F2NO/c1-7(2)16-12-6-11(14)10(13)5-9(12)4-8(3)15/h5-8H,4,15H2,1-3H3
InChIKeyKOKVKMOZTFDBCW-UHFFFAOYSA-N
XLogP2.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(cyclopropylmethoxy)-4,5-difluorophenyl]propan-2-amine;hydrochloride
CID 170894074
[2-(2-aminopropyl)-4,5-difluorophenyl]methanol
CID 117289921
1,2-difluoro-4-methyl-5-propan-2-yloxybenzene
CID 130512828
1-(5-chloro-2-fluoro-4-methoxyphenyl)propan-2-amine;hydrochloride
CID 170894016
1-[5-chloro-2-(3,4-difluorophenoxy)phenyl]propan-2-amine
CID 114863110
1-[2-(3,4-difluorophenoxy)-5-fluorophenyl]propan-2-amine
CID 63802818
1-[2-(2,5-difluorophenoxy)-5-fluorophenyl]propan-2-amine
CID 63803167
1-(2-ethoxy-5-fluorophenyl)propan-2-amine
CID 55254144
1-[5-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 63421430
1-(5-fluoro-2,3-dimethoxy-4-methylsulfanylphenyl)propan-2-amine
CID 117402228
1-(5-fluoro-2-propoxyphenyl)propan-2-amine
CID 103694484
1-(4,5-difluoro-2-propoxyphenyl)butan-2-amine
CID 170890380

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-difluoro-2-propan-2-yloxyphenyl)propan-2-amine?
The IUPAC name of 1-(4,5-difluoro-2-propan-2-yloxyphenyl)propan-2-amine (CID 83893589) is 1-(4,5-difluoro-2-propan-2-yloxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(4,5-difluoro-2-propan-2-yloxyphenyl)propan-2-amine?
The canonical SMILES for 1-(4,5-difluoro-2-propan-2-yloxyphenyl)propan-2-amine is CC(N)Cc1cc(F)c(F)cc1OC(C)C.
What is the InChIKey of 1-(4,5-difluoro-2-propan-2-yloxyphenyl)propan-2-amine?
The InChIKey is KOKVKMOZTFDBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-7(2)16-12-6-11(14)10(13)5-9(12)4-8(3)15/h5-8H,4,15H2,1-3H3.
What are the key properties of 1-(4,5-difluoro-2-propan-2-yloxyphenyl)propan-2-amine?
1-(4,5-difluoro-2-propan-2-yloxyphenyl)propan-2-amine has a molecular weight of 229.27 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-difluoro-2-propan-2-yloxyphenyl)propan-2-amine is sourced from PubChem (CID 83893589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).