1-(4-fluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]propan-1-amine

C17H22FNO2 — CID 43104757

IUPAC1-(4-fluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]propan-1-amine
SMILESCCC(NCCCOCc1ccco1)c1ccc(F)cc1
InChIInChI=1S/C17H22FNO2/c1-2-17(14-6-8-15(18)9-7-14)19-10-4-11-20-13-16-5-3-12-21-16/h3,5-9,12,17,19H,2,4,10-11,13H2,1H3
InChIKeyVNLBFYJWPGGTBN-UHFFFAOYSA-N
MW291.37 g/mol
LogP4.07
Rot. Bonds9

About 1-(4-fluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]propan-1-amine

1-(4-fluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]propan-1-amine (PubChem CID 43104757) has the molecular formula C17H22FNO2 and a molecular weight of 291.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]propan-1-amine
PubChem CID43104757
Molecular FormulaC17H22FNO2
Molecular Weight291.37 g/mol
Exact Mass291.16
IUPAC Name1-(4-fluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]propan-1-amine
SMILESCCC(NCCCOCc1ccco1)c1ccc(F)cc1
InChIInChI=1S/C17H22FNO2/c1-2-17(14-6-8-15(18)9-7-14)19-10-4-11-20-13-16-5-3-12-21-16/h3,5-9,12,17,19H,2,4,10-11,13H2,1H3
InChIKeyVNLBFYJWPGGTBN-UHFFFAOYSA-N
XLogP4.07
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 54.07
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 1-(4-fluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]propan-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]propan-1-amine (CID 43104757) is 1-(4-fluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]propan-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]propan-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]propan-1-amine is CCC(NCCCOCc1ccco1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]propan-1-amine?
The InChIKey is VNLBFYJWPGGTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO2/c1-2-17(14-6-8-15(18)9-7-14)19-10-4-11-20-13-16-5-3-12-21-16/h3,5-9,12,17,19H,2,4,10-11,13H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]propan-1-amine?
1-(4-fluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]propan-1-amine has a molecular weight of 291.37 g/mol, XLogP of 4.07, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]propan-1-amine is sourced from PubChem (CID 43104757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).