3-(2,2-difluoroethoxy)-1-(3-propan-2-yloxyphenyl)propan-1-amine

C14H21F2NO2 — CID 103148997

IUPAC3-(2,2-difluoroethoxy)-1-(3-propan-2-yloxyphenyl)propan-1-amine
SMILESCC(C)Oc1cccc(C(N)CCOCC(F)F)c1
InChIInChI=1S/C14H21F2NO2/c1-10(2)19-12-5-3-4-11(8-12)13(17)6-7-18-9-14(15)16/h3-5,8,10,13-14H,6-7,9,17H2,1-2H3
InChIKeyFKDFGIUQZLYRIR-UHFFFAOYSA-N
MW273.32 g/mol
LogP3.15
Rot. Bonds8

About 3-(2,2-difluoroethoxy)-1-(3-propan-2-yloxyphenyl)propan-1-amine

3-(2,2-difluoroethoxy)-1-(3-propan-2-yloxyphenyl)propan-1-amine (PubChem CID 103148997) has the molecular formula C14H21F2NO2 and a molecular weight of 273.32 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-1-(3-propan-2-yloxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-1-(3-propan-2-yloxyphenyl)propan-1-amine
PubChem CID103148997
Molecular FormulaC14H21F2NO2
Molecular Weight273.32 g/mol
Exact Mass273.15
IUPAC Name3-(2,2-difluoroethoxy)-1-(3-propan-2-yloxyphenyl)propan-1-amine
SMILESCC(C)Oc1cccc(C(N)CCOCC(F)F)c1
InChIInChI=1S/C14H21F2NO2/c1-10(2)19-12-5-3-4-11(8-12)13(17)6-7-18-9-14(15)16/h3-5,8,10,13-14H,6-7,9,17H2,1-2H3
InChIKeyFKDFGIUQZLYRIR-UHFFFAOYSA-N
XLogP3.15
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[3-(2,2-difluoroethoxy)-1-(3-propan-2-yloxyphenyl)propyl]hydrazine
CID 103151840
3-(2,2-difluoroethoxy)-N-methyl-1-(3-propan-2-yloxyphenyl)propan-1-amine
CID 103149327
1-(3-propan-2-yloxyphenyl)-3-propoxypropan-1-amine
CID 105171328
3-(2,2-difluoroethoxy)-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-amine
CID 103148933
1-(3-propan-2-yloxyphenyl)pentan-1-amine
CID 79016250
2-(2,2-difluoroethoxy)-1-(3-methoxyphenyl)ethanamine
CID 82004138
1-[3-(difluoromethoxy)phenyl]-2-methoxyethanamine
CID 112684585
3-(2,2-difluoroethoxy)-1-(3-propan-2-yloxyphenyl)propan-1-one
CID 103147048
3-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)propan-1-amine
CID 103148805
2-(3-fluorophenyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 62919131
3-amino-3-[3-(difluoromethoxy)phenyl]propan-1-ol
CID 170874621
1-[3-(difluoromethoxy)phenyl]nonan-1-amine
CID 115835822

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-1-(3-propan-2-yloxyphenyl)propan-1-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-1-(3-propan-2-yloxyphenyl)propan-1-amine (CID 103148997) is 3-(2,2-difluoroethoxy)-1-(3-propan-2-yloxyphenyl)propan-1-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-1-(3-propan-2-yloxyphenyl)propan-1-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-1-(3-propan-2-yloxyphenyl)propan-1-amine is CC(C)Oc1cccc(C(N)CCOCC(F)F)c1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-1-(3-propan-2-yloxyphenyl)propan-1-amine?
The InChIKey is FKDFGIUQZLYRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO2/c1-10(2)19-12-5-3-4-11(8-12)13(17)6-7-18-9-14(15)16/h3-5,8,10,13-14H,6-7,9,17H2,1-2H3.
What are the key properties of 3-(2,2-difluoroethoxy)-1-(3-propan-2-yloxyphenyl)propan-1-amine?
3-(2,2-difluoroethoxy)-1-(3-propan-2-yloxyphenyl)propan-1-amine has a molecular weight of 273.32 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-1-(3-propan-2-yloxyphenyl)propan-1-amine is sourced from PubChem (CID 103148997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).