N,N-dimethyl-2-(3-phenylpropoxy)ethanamine;oxalic acid

C15H23NO5 — CID 70682052

IUPACN,N-dimethyl-2-(3-phenylpropoxy)ethanamine;oxalic acid
SMILESCN(C)CCOCCCc1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C13H21NO.C2H2O4/c1-14(2)10-12-15-11-6-9-13-7-4-3-5-8-13;3-1(4)2(5)6/h3-5,7-8H,6,9-12H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyRCBJAKOQFKBIHT-UHFFFAOYSA-N
MW297.35 g/mol
LogP1.35
Rot. Bonds7

About N,N-dimethyl-2-(3-phenylpropoxy)ethanamine;oxalic acid

N,N-dimethyl-2-(3-phenylpropoxy)ethanamine;oxalic acid (PubChem CID 70682052) has the molecular formula C15H23NO5 and a molecular weight of 297.35 g/mol. Its IUPAC name is N,N-dimethyl-2-(3-phenylpropoxy)ethanamine;oxalic acid.

Molecular Properties

Compound NameN,N-dimethyl-2-(3-phenylpropoxy)ethanamine;oxalic acid
PubChem CID70682052
Molecular FormulaC15H23NO5
Molecular Weight297.35 g/mol
Exact Mass297.16
IUPAC NameN,N-dimethyl-2-(3-phenylpropoxy)ethanamine;oxalic acid
SMILESCN(C)CCOCCCc1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C13H21NO.C2H2O4/c1-14(2)10-12-15-11-6-9-13-7-4-3-5-8-13;3-1(4)2(5)6/h3-5,7-8H,6,9-12H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyRCBJAKOQFKBIHT-UHFFFAOYSA-N
XLogP1.35
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 51.35
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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Related Compounds

N-benzyl-N-methyl-2-(3-phenylpropoxy)ethanamine;oxalic acid
CID 70694657
N-benzyl-N-methyl-2-(3-phenylpropoxy)ethanamine
CID 70694658
2-hydroxy-3-(3-phenylpropoxy)but-2-enoic acid
CID 141152749
2-[methyl-[3-(2-phenylethoxy)propyl]amino]propanoic acid;hydrochloride
CID 119912610
1-bromo-4-(3-phenylpropoxy)butan-2-one
CID 135222288
N,N-dimethyl-2-[(E)-3-phenylprop-2-enoxy]ethanamine;oxalic acid
CID 70686302
8-(8-phenyloctoxy)octylbenzene
CID 56628536
3-decoxypropylbenzene
CID 150065328
N,N-dimethyl-3-phenylpropan-1-amine;nitric acid
CID 173132707
3-[2-[2-[2-[2-[2-[2-[benzyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-1-ol
CID 176613357
bis(N-methyl-N-(4-phenylbutyl)nonan-1-amine);oxalic acid
CID 173427638
N,N-dimethyl-7-phenylheptan-1-amine;hydrate
CID 173447731

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(3-phenylpropoxy)ethanamine;oxalic acid?
The IUPAC name of N,N-dimethyl-2-(3-phenylpropoxy)ethanamine;oxalic acid (CID 70682052) is N,N-dimethyl-2-(3-phenylpropoxy)ethanamine;oxalic acid.
What is the SMILES notation for N,N-dimethyl-2-(3-phenylpropoxy)ethanamine;oxalic acid?
The canonical SMILES for N,N-dimethyl-2-(3-phenylpropoxy)ethanamine;oxalic acid is CN(C)CCOCCCc1ccccc1.O=C(O)C(=O)O.
What is the InChIKey of N,N-dimethyl-2-(3-phenylpropoxy)ethanamine;oxalic acid?
The InChIKey is RCBJAKOQFKBIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO.C2H2O4/c1-14(2)10-12-15-11-6-9-13-7-4-3-5-8-13;3-1(4)2(5)6/h3-5,7-8H,6,9-12H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of N,N-dimethyl-2-(3-phenylpropoxy)ethanamine;oxalic acid?
N,N-dimethyl-2-(3-phenylpropoxy)ethanamine;oxalic acid has a molecular weight of 297.35 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(3-phenylpropoxy)ethanamine;oxalic acid is sourced from PubChem (CID 70682052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).