N-[1-[3-(difluoromethoxy)phenyl]-2-propan-2-yloxyethyl]propan-1-amine

C15H23F2NO2 — CID 105013280

IUPACN-[1-[3-(difluoromethoxy)phenyl]-2-propan-2-yloxyethyl]propan-1-amine
SMILESCCCNC(COC(C)C)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H23F2NO2/c1-4-8-18-14(10-19-11(2)3)12-6-5-7-13(9-12)20-15(16)17/h5-7,9,11,14-15,18H,4,8,10H2,1-3H3
InChIKeyBMFGJGZYEGTVNL-UHFFFAOYSA-N
MW287.35 g/mol
LogP3.75
Rot. Bonds9

About N-[1-[3-(difluoromethoxy)phenyl]-2-propan-2-yloxyethyl]propan-1-amine

N-[1-[3-(difluoromethoxy)phenyl]-2-propan-2-yloxyethyl]propan-1-amine (PubChem CID 105013280) has the molecular formula C15H23F2NO2 and a molecular weight of 287.35 g/mol. Its IUPAC name is N-[1-[3-(difluoromethoxy)phenyl]-2-propan-2-yloxyethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[3-(difluoromethoxy)phenyl]-2-propan-2-yloxyethyl]propan-1-amine
PubChem CID105013280
Molecular FormulaC15H23F2NO2
Molecular Weight287.35 g/mol
Exact Mass287.17
IUPAC NameN-[1-[3-(difluoromethoxy)phenyl]-2-propan-2-yloxyethyl]propan-1-amine
SMILESCCCNC(COC(C)C)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H23F2NO2/c1-4-8-18-14(10-19-11(2)3)12-6-5-7-13(9-12)20-15(16)17/h5-7,9,11,14-15,18H,4,8,10H2,1-3H3
InChIKeyBMFGJGZYEGTVNL-UHFFFAOYSA-N
XLogP3.75
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[3-(difluoromethoxy)phenyl]-2-propoxyethyl]propan-1-amine
CID 105008491
1-[3-(difluoromethoxy)phenyl]-N-propylbutan-1-amine
CID 114982290
1-[3-(difluoromethoxy)phenyl]-N-propylpentan-1-amine
CID 115832874
N-[1-(3-chlorophenyl)-2-propan-2-yloxyethyl]propan-1-amine
CID 79575629
1-[3-(difluoromethoxy)phenyl]-N-propylbut-3-en-1-amine
CID 115814659
2-(3-propan-2-yloxyphenyl)-2-(propylamino)ethanol
CID 61211137
N-[1-[3-(difluoromethoxy)phenyl]-2-(furan-3-yl)ethyl]propan-1-amine
CID 105030005
1-[3-(difluoromethoxy)phenyl]-N-methylpropan-1-amine
CID 114979665
1-(3-propan-2-yloxyphenyl)-N-propylpent-4-yn-1-amine
CID 115859639
N-[1-[4-(difluoromethoxy)phenyl]-2-ethoxyethyl]propan-1-amine
CID 105007943
N-ethyl-1-(3-fluorophenyl)-2-propan-2-yloxyethanamine
CID 79573891
N-[1-(4-chloro-3-methylphenyl)-2-propan-2-yloxyethyl]propan-1-amine
CID 105013219

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(difluoromethoxy)phenyl]-2-propan-2-yloxyethyl]propan-1-amine?
The IUPAC name of N-[1-[3-(difluoromethoxy)phenyl]-2-propan-2-yloxyethyl]propan-1-amine (CID 105013280) is N-[1-[3-(difluoromethoxy)phenyl]-2-propan-2-yloxyethyl]propan-1-amine.
What is the SMILES notation for N-[1-[3-(difluoromethoxy)phenyl]-2-propan-2-yloxyethyl]propan-1-amine?
The canonical SMILES for N-[1-[3-(difluoromethoxy)phenyl]-2-propan-2-yloxyethyl]propan-1-amine is CCCNC(COC(C)C)c1cccc(OC(F)F)c1.
What is the InChIKey of N-[1-[3-(difluoromethoxy)phenyl]-2-propan-2-yloxyethyl]propan-1-amine?
The InChIKey is BMFGJGZYEGTVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO2/c1-4-8-18-14(10-19-11(2)3)12-6-5-7-13(9-12)20-15(16)17/h5-7,9,11,14-15,18H,4,8,10H2,1-3H3.
What are the key properties of N-[1-[3-(difluoromethoxy)phenyl]-2-propan-2-yloxyethyl]propan-1-amine?
N-[1-[3-(difluoromethoxy)phenyl]-2-propan-2-yloxyethyl]propan-1-amine has a molecular weight of 287.35 g/mol, XLogP of 3.75, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(difluoromethoxy)phenyl]-2-propan-2-yloxyethyl]propan-1-amine is sourced from PubChem (CID 105013280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).