N-benzyl-3-(2-fluorophenoxy)-N-methylpropan-1-amine;oxalic acid

C19H22FNO5 — CID 2935264

IUPACN-benzyl-3-(2-fluorophenoxy)-N-methylpropan-1-amine;oxalic acid
SMILESCN(CCCOc1ccccc1F)Cc1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C17H20FNO.C2H2O4/c1-19(14-15-8-3-2-4-9-15)12-7-13-20-17-11-6-5-10-16(17)18;3-1(4)2(5)6/h2-6,8-11H,7,12-14H2,1H3;(H,3,4)(H,5,6)
InChIKeyQRMKNAHVZUNQBR-UHFFFAOYSA-N
MW363.39 g/mol
LogP2.88
Rot. Bonds7

About N-benzyl-3-(2-fluorophenoxy)-N-methylpropan-1-amine;oxalic acid

N-benzyl-3-(2-fluorophenoxy)-N-methylpropan-1-amine;oxalic acid (PubChem CID 2935264) has the molecular formula C19H22FNO5 and a molecular weight of 363.39 g/mol. Its IUPAC name is N-benzyl-3-(2-fluorophenoxy)-N-methylpropan-1-amine;oxalic acid.

Molecular Properties

Compound NameN-benzyl-3-(2-fluorophenoxy)-N-methylpropan-1-amine;oxalic acid
PubChem CID2935264
Molecular FormulaC19H22FNO5
Molecular Weight363.39 g/mol
Exact Mass363.15
IUPAC NameN-benzyl-3-(2-fluorophenoxy)-N-methylpropan-1-amine;oxalic acid
SMILESCN(CCCOc1ccccc1F)Cc1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C17H20FNO.C2H2O4/c1-19(14-15-8-3-2-4-9-15)12-7-13-20-17-11-6-5-10-16(17)18;3-1(4)2(5)6/h2-6,8-11H,7,12-14H2,1H3;(H,3,4)(H,5,6)
InChIKeyQRMKNAHVZUNQBR-UHFFFAOYSA-N
XLogP2.88
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(2-fluorophenoxy)-N-methylpropan-1-amine;oxalic acid?
The IUPAC name of N-benzyl-3-(2-fluorophenoxy)-N-methylpropan-1-amine;oxalic acid (CID 2935264) is N-benzyl-3-(2-fluorophenoxy)-N-methylpropan-1-amine;oxalic acid.
What is the SMILES notation for N-benzyl-3-(2-fluorophenoxy)-N-methylpropan-1-amine;oxalic acid?
The canonical SMILES for N-benzyl-3-(2-fluorophenoxy)-N-methylpropan-1-amine;oxalic acid is CN(CCCOc1ccccc1F)Cc1ccccc1.O=C(O)C(=O)O.
What is the InChIKey of N-benzyl-3-(2-fluorophenoxy)-N-methylpropan-1-amine;oxalic acid?
The InChIKey is QRMKNAHVZUNQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO.C2H2O4/c1-19(14-15-8-3-2-4-9-15)12-7-13-20-17-11-6-5-10-16(17)18;3-1(4)2(5)6/h2-6,8-11H,7,12-14H2,1H3;(H,3,4)(H,5,6).
What are the key properties of N-benzyl-3-(2-fluorophenoxy)-N-methylpropan-1-amine;oxalic acid?
N-benzyl-3-(2-fluorophenoxy)-N-methylpropan-1-amine;oxalic acid has a molecular weight of 363.39 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(2-fluorophenoxy)-N-methylpropan-1-amine;oxalic acid is sourced from PubChem (CID 2935264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).