N-[1-(2-fluorophenyl)ethyl]-3-(furan-2-ylmethoxy)propan-1-amine

C16H20FNO2 — CID 43205760

IUPACN-[1-(2-fluorophenyl)ethyl]-3-(furan-2-ylmethoxy)propan-1-amine
SMILESCC(NCCCOCc1ccco1)c1ccccc1F
InChIInChI=1S/C16H20FNO2/c1-13(15-7-2-3-8-16(15)17)18-9-5-10-19-12-14-6-4-11-20-14/h2-4,6-8,11,13,18H,5,9-10,12H2,1H3
InChIKeyVXYMUOOPVUNGIP-UHFFFAOYSA-N
MW277.34 g/mol
LogP3.68
Rot. Bonds8

About N-[1-(2-fluorophenyl)ethyl]-3-(furan-2-ylmethoxy)propan-1-amine

N-[1-(2-fluorophenyl)ethyl]-3-(furan-2-ylmethoxy)propan-1-amine (PubChem CID 43205760) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)ethyl]-3-(furan-2-ylmethoxy)propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)ethyl]-3-(furan-2-ylmethoxy)propan-1-amine
PubChem CID43205760
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC NameN-[1-(2-fluorophenyl)ethyl]-3-(furan-2-ylmethoxy)propan-1-amine
SMILESCC(NCCCOCc1ccco1)c1ccccc1F
InChIInChI=1S/C16H20FNO2/c1-13(15-7-2-3-8-16(15)17)18-9-5-10-19-12-14-6-4-11-20-14/h2-4,6-8,11,13,18H,5,9-10,12H2,1H3
InChIKeyVXYMUOOPVUNGIP-UHFFFAOYSA-N
XLogP3.68
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 53.68
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-fluorophenyl)ethyl]-3-(furan-2-ylmethoxy)propan-1-amine?
The IUPAC name of N-[1-(2-fluorophenyl)ethyl]-3-(furan-2-ylmethoxy)propan-1-amine (CID 43205760) is N-[1-(2-fluorophenyl)ethyl]-3-(furan-2-ylmethoxy)propan-1-amine.
What is the SMILES notation for N-[1-(2-fluorophenyl)ethyl]-3-(furan-2-ylmethoxy)propan-1-amine?
The canonical SMILES for N-[1-(2-fluorophenyl)ethyl]-3-(furan-2-ylmethoxy)propan-1-amine is CC(NCCCOCc1ccco1)c1ccccc1F.
What is the InChIKey of N-[1-(2-fluorophenyl)ethyl]-3-(furan-2-ylmethoxy)propan-1-amine?
The InChIKey is VXYMUOOPVUNGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO2/c1-13(15-7-2-3-8-16(15)17)18-9-5-10-19-12-14-6-4-11-20-14/h2-4,6-8,11,13,18H,5,9-10,12H2,1H3.
What are the key properties of N-[1-(2-fluorophenyl)ethyl]-3-(furan-2-ylmethoxy)propan-1-amine?
N-[1-(2-fluorophenyl)ethyl]-3-(furan-2-ylmethoxy)propan-1-amine has a molecular weight of 277.34 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)ethyl]-3-(furan-2-ylmethoxy)propan-1-amine is sourced from PubChem (CID 43205760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).