N-methyl-4-naphthalen-2-yloxybutan-1-amine;oxalic acid

C17H21NO5 — CID 2948901

IUPACN-methyl-4-naphthalen-2-yloxybutan-1-amine;oxalic acid
SMILESCNCCCCOc1ccc2ccccc2c1.O=C(O)C(=O)O
InChIInChI=1S/C15H19NO.C2H2O4/c1-16-10-4-5-11-17-15-9-8-13-6-2-3-7-14(13)12-15;3-1(4)2(5)6/h2-3,6-9,12,16H,4-5,10-11H2,1H3;(H,3,4)(H,5,6)
InChIKeyFCJVWJITJGMLIT-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.37
Rot. Bonds6

About N-methyl-4-naphthalen-2-yloxybutan-1-amine;oxalic acid

N-methyl-4-naphthalen-2-yloxybutan-1-amine;oxalic acid (PubChem CID 2948901) has the molecular formula C17H21NO5 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-methyl-4-naphthalen-2-yloxybutan-1-amine;oxalic acid.

Molecular Properties

Compound NameN-methyl-4-naphthalen-2-yloxybutan-1-amine;oxalic acid
PubChem CID2948901
Molecular FormulaC17H21NO5
Molecular Weight319.36 g/mol
Exact Mass319.14
IUPAC NameN-methyl-4-naphthalen-2-yloxybutan-1-amine;oxalic acid
SMILESCNCCCCOc1ccc2ccccc2c1.O=C(O)C(=O)O
InChIInChI=1S/C15H19NO.C2H2O4/c1-16-10-4-5-11-17-15-9-8-13-6-2-3-7-14(13)12-15;3-1(4)2(5)6/h2-3,6-9,12,16H,4-5,10-11H2,1H3;(H,3,4)(H,5,6)
InChIKeyFCJVWJITJGMLIT-UHFFFAOYSA-N
XLogP2.37
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.37
H-Bond Donors ≤ 53
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-methyl-4-naphthalen-2-yloxybutan-1-amine;oxalic acid?
The IUPAC name of N-methyl-4-naphthalen-2-yloxybutan-1-amine;oxalic acid (CID 2948901) is N-methyl-4-naphthalen-2-yloxybutan-1-amine;oxalic acid.
What is the SMILES notation for N-methyl-4-naphthalen-2-yloxybutan-1-amine;oxalic acid?
The canonical SMILES for N-methyl-4-naphthalen-2-yloxybutan-1-amine;oxalic acid is CNCCCCOc1ccc2ccccc2c1.O=C(O)C(=O)O.
What is the InChIKey of N-methyl-4-naphthalen-2-yloxybutan-1-amine;oxalic acid?
The InChIKey is FCJVWJITJGMLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO.C2H2O4/c1-16-10-4-5-11-17-15-9-8-13-6-2-3-7-14(13)12-15;3-1(4)2(5)6/h2-3,6-9,12,16H,4-5,10-11H2,1H3;(H,3,4)(H,5,6).
What are the key properties of N-methyl-4-naphthalen-2-yloxybutan-1-amine;oxalic acid?
N-methyl-4-naphthalen-2-yloxybutan-1-amine;oxalic acid has a molecular weight of 319.36 g/mol, XLogP of 2.37, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-naphthalen-2-yloxybutan-1-amine;oxalic acid is sourced from PubChem (CID 2948901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).