N-[1-[3-(difluoromethoxy)phenyl]-2-(furan-3-yl)ethyl]propan-1-amine

C16H19F2NO2 — CID 105030005

IUPACN-[1-[3-(difluoromethoxy)phenyl]-2-(furan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccoc1)c1cccc(OC(F)F)c1
InChIInChI=1S/C16H19F2NO2/c1-2-7-19-15(9-12-6-8-20-11-12)13-4-3-5-14(10-13)21-16(17)18/h3-6,8,10-11,15-16,19H,2,7,9H2,1H3
InChIKeyAQCVFJMAPLTESP-UHFFFAOYSA-N
MW295.33 g/mol
LogP4.16
Rot. Bonds8

About N-[1-[3-(difluoromethoxy)phenyl]-2-(furan-3-yl)ethyl]propan-1-amine

N-[1-[3-(difluoromethoxy)phenyl]-2-(furan-3-yl)ethyl]propan-1-amine (PubChem CID 105030005) has the molecular formula C16H19F2NO2 and a molecular weight of 295.33 g/mol. Its IUPAC name is N-[1-[3-(difluoromethoxy)phenyl]-2-(furan-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[3-(difluoromethoxy)phenyl]-2-(furan-3-yl)ethyl]propan-1-amine
PubChem CID105030005
Molecular FormulaC16H19F2NO2
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC NameN-[1-[3-(difluoromethoxy)phenyl]-2-(furan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccoc1)c1cccc(OC(F)F)c1
InChIInChI=1S/C16H19F2NO2/c1-2-7-19-15(9-12-6-8-20-11-12)13-4-3-5-14(10-13)21-16(17)18/h3-6,8,10-11,15-16,19H,2,7,9H2,1H3
InChIKeyAQCVFJMAPLTESP-UHFFFAOYSA-N
XLogP4.16
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(difluoromethoxy)phenyl]-N-propylbutan-1-amine
CID 114982290
1-[3-(difluoromethoxy)phenyl]-N-propylpentan-1-amine
CID 115832874
1-(3-ethoxyphenyl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 83175084
N-[1-(4-ethoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 105029819
N-[1-[3-(difluoromethoxy)phenyl]-2-propan-2-yloxyethyl]propan-1-amine
CID 105013280
1-[3-(difluoromethoxy)phenyl]-N-propylbut-3-en-1-amine
CID 115814659
N-[1-[3-(difluoromethoxy)phenyl]-2-propoxyethyl]propan-1-amine
CID 105008491
1-[3-(difluoromethoxy)phenyl]-N-ethyl-2-(furan-2-yl)ethanamine
CID 105029493
N-[1-(4-chloro-3-methylphenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 105029948
N-[1-(4-bromo-3-chlorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 105030232
N-[1-(3-bromo-5-fluorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 83175760
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 105029671

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(difluoromethoxy)phenyl]-2-(furan-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-[3-(difluoromethoxy)phenyl]-2-(furan-3-yl)ethyl]propan-1-amine (CID 105030005) is N-[1-[3-(difluoromethoxy)phenyl]-2-(furan-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[3-(difluoromethoxy)phenyl]-2-(furan-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-[3-(difluoromethoxy)phenyl]-2-(furan-3-yl)ethyl]propan-1-amine is CCCNC(Cc1ccoc1)c1cccc(OC(F)F)c1.
What is the InChIKey of N-[1-[3-(difluoromethoxy)phenyl]-2-(furan-3-yl)ethyl]propan-1-amine?
The InChIKey is AQCVFJMAPLTESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2NO2/c1-2-7-19-15(9-12-6-8-20-11-12)13-4-3-5-14(10-13)21-16(17)18/h3-6,8,10-11,15-16,19H,2,7,9H2,1H3.
What are the key properties of N-[1-[3-(difluoromethoxy)phenyl]-2-(furan-3-yl)ethyl]propan-1-amine?
N-[1-[3-(difluoromethoxy)phenyl]-2-(furan-3-yl)ethyl]propan-1-amine has a molecular weight of 295.33 g/mol, XLogP of 4.16, 8 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-(furan-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105030005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).