N-[1-(2,6-difluorophenyl)ethyl]-3-(furan-2-ylmethoxy)propan-1-amine

C16H19F2NO2 — CID 43205755

IUPACN-[1-(2,6-difluorophenyl)ethyl]-3-(furan-2-ylmethoxy)propan-1-amine
SMILESCC(NCCCOCc1ccco1)c1c(F)cccc1F
InChIInChI=1S/C16H19F2NO2/c1-12(16-14(17)6-2-7-15(16)18)19-8-4-9-20-11-13-5-3-10-21-13/h2-3,5-7,10,12,19H,4,8-9,11H2,1H3
InChIKeyJNIYGSLDZODLME-UHFFFAOYSA-N
MW295.33 g/mol
LogP3.82
Rot. Bonds8

About N-[1-(2,6-difluorophenyl)ethyl]-3-(furan-2-ylmethoxy)propan-1-amine

N-[1-(2,6-difluorophenyl)ethyl]-3-(furan-2-ylmethoxy)propan-1-amine (PubChem CID 43205755) has the molecular formula C16H19F2NO2 and a molecular weight of 295.33 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)ethyl]-3-(furan-2-ylmethoxy)propan-1-amine.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)ethyl]-3-(furan-2-ylmethoxy)propan-1-amine
PubChem CID43205755
Molecular FormulaC16H19F2NO2
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC NameN-[1-(2,6-difluorophenyl)ethyl]-3-(furan-2-ylmethoxy)propan-1-amine
SMILESCC(NCCCOCc1ccco1)c1c(F)cccc1F
InChIInChI=1S/C16H19F2NO2/c1-12(16-14(17)6-2-7-15(16)18)19-8-4-9-20-11-13-5-3-10-21-13/h2-3,5-7,10,12,19H,4,8-9,11H2,1H3
InChIKeyJNIYGSLDZODLME-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
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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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]-3-(furan-2-ylmethoxy)propan-1-amine?
The IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]-3-(furan-2-ylmethoxy)propan-1-amine (CID 43205755) is N-[1-(2,6-difluorophenyl)ethyl]-3-(furan-2-ylmethoxy)propan-1-amine.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)ethyl]-3-(furan-2-ylmethoxy)propan-1-amine?
The canonical SMILES for N-[1-(2,6-difluorophenyl)ethyl]-3-(furan-2-ylmethoxy)propan-1-amine is CC(NCCCOCc1ccco1)c1c(F)cccc1F.
What is the InChIKey of N-[1-(2,6-difluorophenyl)ethyl]-3-(furan-2-ylmethoxy)propan-1-amine?
The InChIKey is JNIYGSLDZODLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2NO2/c1-12(16-14(17)6-2-7-15(16)18)19-8-4-9-20-11-13-5-3-10-21-13/h2-3,5-7,10,12,19H,4,8-9,11H2,1H3.
What are the key properties of N-[1-(2,6-difluorophenyl)ethyl]-3-(furan-2-ylmethoxy)propan-1-amine?
N-[1-(2,6-difluorophenyl)ethyl]-3-(furan-2-ylmethoxy)propan-1-amine has a molecular weight of 295.33 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-difluorophenyl)ethyl]-3-(furan-2-ylmethoxy)propan-1-amine is sourced from PubChem (CID 43205755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).