2-[4-(2,2-difluoropropoxy)phenyl]propan-2-amine

C12H17F2NO — CID 84792720

IUPAC2-[4-(2,2-difluoropropoxy)phenyl]propan-2-amine
SMILESCC(F)(F)COc1ccc(C(C)(C)N)cc1
InChIInChI=1S/C12H17F2NO/c1-11(2,15)9-4-6-10(7-5-9)16-8-12(3,13)14/h4-7H,8,15H2,1-3H3
InChIKeyLUTOBTQPQWDXMM-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.91
Rot. Bonds4

About 2-[4-(2,2-difluoropropoxy)phenyl]propan-2-amine

2-[4-(2,2-difluoropropoxy)phenyl]propan-2-amine (PubChem CID 84792720) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 2-[4-(2,2-difluoropropoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name2-[4-(2,2-difluoropropoxy)phenyl]propan-2-amine
PubChem CID84792720
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name2-[4-(2,2-difluoropropoxy)phenyl]propan-2-amine
SMILESCC(F)(F)COc1ccc(C(C)(C)N)cc1
InChIInChI=1S/C12H17F2NO/c1-11(2,15)9-4-6-10(7-5-9)16-8-12(3,13)14/h4-7H,8,15H2,1-3H3
InChIKeyLUTOBTQPQWDXMM-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-difluoropropoxybenzene
CID 10997493
2-[4-(2-methylpropoxy)phenyl]propan-2-amine
CID 50988085
2-[4-(2-methoxyethoxy)phenyl]propan-2-amine
CID 95440689
1-(3,3,3-trifluoro-2,2-dimethylpropoxy)-4-(trifluoromethyl)benzene
CID 89280701
3-[4-(2,2-difluoropropoxy)phenyl]propan-1-amine
CID 84792717
2-amino-1-[4-(2,2-difluoropropoxy)phenyl]propan-1-ol
CID 84802854
2-[4-(2,2-difluoropropoxy)phenyl]acetic acid
CID 84693365
2-[4-(2,2-difluoropropoxy)phenyl]propanenitrile
CID 84789992
3-[4-(2,2-difluoropropoxy)phenyl]propanenitrile
CID 84789993
N-ethyl-2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 79621726
1-(4-methoxyphenoxy)-2-methylpropan-2-amine
CID 18349748
[4-(2-fluoro-2-methylpropoxy)phenyl]methanamine
CID 84667770

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-difluoropropoxy)phenyl]propan-2-amine?
The IUPAC name of 2-[4-(2,2-difluoropropoxy)phenyl]propan-2-amine (CID 84792720) is 2-[4-(2,2-difluoropropoxy)phenyl]propan-2-amine.
What is the SMILES notation for 2-[4-(2,2-difluoropropoxy)phenyl]propan-2-amine?
The canonical SMILES for 2-[4-(2,2-difluoropropoxy)phenyl]propan-2-amine is CC(F)(F)COc1ccc(C(C)(C)N)cc1.
What is the InChIKey of 2-[4-(2,2-difluoropropoxy)phenyl]propan-2-amine?
The InChIKey is LUTOBTQPQWDXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-11(2,15)9-4-6-10(7-5-9)16-8-12(3,13)14/h4-7H,8,15H2,1-3H3.
What are the key properties of 2-[4-(2,2-difluoropropoxy)phenyl]propan-2-amine?
2-[4-(2,2-difluoropropoxy)phenyl]propan-2-amine has a molecular weight of 229.27 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-difluoropropoxy)phenyl]propan-2-amine is sourced from PubChem (CID 84792720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).