N-[(2,4-difluorophenyl)methyl]-3-(furan-2-ylmethoxy)propan-1-amine

C15H17F2NO2 — CID 28681109

IUPACN-[(2,4-difluorophenyl)methyl]-3-(furan-2-ylmethoxy)propan-1-amine
SMILESFc1ccc(CNCCCOCc2ccco2)c(F)c1
InChIInChI=1S/C15H17F2NO2/c16-13-5-4-12(15(17)9-13)10-18-6-2-7-19-11-14-3-1-8-20-14/h1,3-5,8-9,18H,2,6-7,10-11H2
InChIKeyVNKGGABDAMJPMK-UHFFFAOYSA-N
MW281.30 g/mol
LogP3.25
Rot. Bonds8

About N-[(2,4-difluorophenyl)methyl]-3-(furan-2-ylmethoxy)propan-1-amine

N-[(2,4-difluorophenyl)methyl]-3-(furan-2-ylmethoxy)propan-1-amine (PubChem CID 28681109) has the molecular formula C15H17F2NO2 and a molecular weight of 281.30 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-3-(furan-2-ylmethoxy)propan-1-amine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-3-(furan-2-ylmethoxy)propan-1-amine
PubChem CID28681109
Molecular FormulaC15H17F2NO2
Molecular Weight281.30 g/mol
Exact Mass281.12
IUPAC NameN-[(2,4-difluorophenyl)methyl]-3-(furan-2-ylmethoxy)propan-1-amine
SMILESFc1ccc(CNCCCOCc2ccco2)c(F)c1
InChIInChI=1S/C15H17F2NO2/c16-13-5-4-12(15(17)9-13)10-18-6-2-7-19-11-14-3-1-8-20-14/h1,3-5,8-9,18H,2,6-7,10-11H2
InChIKeyVNKGGABDAMJPMK-UHFFFAOYSA-N
XLogP3.25
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 53.25
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-[(2,4-difluorophenyl)methyl]-3-(furan-2-ylmethoxy)propan-1-amine?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-3-(furan-2-ylmethoxy)propan-1-amine (CID 28681109) is N-[(2,4-difluorophenyl)methyl]-3-(furan-2-ylmethoxy)propan-1-amine.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-3-(furan-2-ylmethoxy)propan-1-amine?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-3-(furan-2-ylmethoxy)propan-1-amine is Fc1ccc(CNCCCOCc2ccco2)c(F)c1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-3-(furan-2-ylmethoxy)propan-1-amine?
The InChIKey is VNKGGABDAMJPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO2/c16-13-5-4-12(15(17)9-13)10-18-6-2-7-19-11-14-3-1-8-20-14/h1,3-5,8-9,18H,2,6-7,10-11H2.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-3-(furan-2-ylmethoxy)propan-1-amine?
N-[(2,4-difluorophenyl)methyl]-3-(furan-2-ylmethoxy)propan-1-amine has a molecular weight of 281.30 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-3-(furan-2-ylmethoxy)propan-1-amine is sourced from PubChem (CID 28681109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).