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

C15H18FNO2 — CID 28681117

IUPACN-[(3-fluorophenyl)methyl]-3-(furan-2-ylmethoxy)propan-1-amine
SMILESFc1cccc(CNCCCOCc2ccco2)c1
InChIInChI=1S/C15H18FNO2/c16-14-5-1-4-13(10-14)11-17-7-3-8-18-12-15-6-2-9-19-15/h1-2,4-6,9-10,17H,3,7-8,11-12H2
InChIKeyPSWOYNOQYZYDIJ-UHFFFAOYSA-N
MW263.31 g/mol
LogP3.12
Rot. Bonds8

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

N-[(3-fluorophenyl)methyl]-3-(furan-2-ylmethoxy)propan-1-amine (PubChem CID 28681117) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-3-(furan-2-ylmethoxy)propan-1-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-3-(furan-2-ylmethoxy)propan-1-amine
PubChem CID28681117
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC NameN-[(3-fluorophenyl)methyl]-3-(furan-2-ylmethoxy)propan-1-amine
SMILESFc1cccc(CNCCCOCc2ccco2)c1
InChIInChI=1S/C15H18FNO2/c16-14-5-1-4-13(10-14)11-17-7-3-8-18-12-15-6-2-9-19-15/h1-2,4-6,9-10,17H,3,7-8,11-12H2
InChIKeyPSWOYNOQYZYDIJ-UHFFFAOYSA-N
XLogP3.12
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 53.12
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-[(3-fluorophenyl)methyl]-3-(furan-2-ylmethoxy)propan-1-amine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-3-(furan-2-ylmethoxy)propan-1-amine (CID 28681117) is N-[(3-fluorophenyl)methyl]-3-(furan-2-ylmethoxy)propan-1-amine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-3-(furan-2-ylmethoxy)propan-1-amine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-3-(furan-2-ylmethoxy)propan-1-amine is Fc1cccc(CNCCCOCc2ccco2)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-3-(furan-2-ylmethoxy)propan-1-amine?
The InChIKey is PSWOYNOQYZYDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c16-14-5-1-4-13(10-14)11-17-7-3-8-18-12-15-6-2-9-19-15/h1-2,4-6,9-10,17H,3,7-8,11-12H2.
What are the key properties of N-[(3-fluorophenyl)methyl]-3-(furan-2-ylmethoxy)propan-1-amine?
N-[(3-fluorophenyl)methyl]-3-(furan-2-ylmethoxy)propan-1-amine has a molecular weight of 263.31 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-3-(furan-2-ylmethoxy)propan-1-amine is sourced from PubChem (CID 28681117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).