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

C20H25NO6 — CID 21243396

IUPAC2-benzyl-3-(2-methoxyphenoxy)-N-methylpropan-1-amine;oxalic acid
SMILESCNCC(COc1ccccc1OC)Cc1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C18H23NO2.C2H2O4/c1-19-13-16(12-15-8-4-3-5-9-15)14-21-18-11-7-6-10-17(18)20-2;3-1(4)2(5)6/h3-11,16,19H,12-14H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyFYKDCBXSCNPESO-UHFFFAOYSA-N
MW375.42 g/mol
LogP2.31
Rot. Bonds8

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

2-benzyl-3-(2-methoxyphenoxy)-N-methylpropan-1-amine;oxalic acid (PubChem CID 21243396) has the molecular formula C20H25NO6 and a molecular weight of 375.42 g/mol. Its IUPAC name is 2-benzyl-3-(2-methoxyphenoxy)-N-methylpropan-1-amine;oxalic acid.

Molecular Properties

Compound Name2-benzyl-3-(2-methoxyphenoxy)-N-methylpropan-1-amine;oxalic acid
PubChem CID21243396
Molecular FormulaC20H25NO6
Molecular Weight375.42 g/mol
Exact Mass375.17
IUPAC Name2-benzyl-3-(2-methoxyphenoxy)-N-methylpropan-1-amine;oxalic acid
SMILESCNCC(COc1ccccc1OC)Cc1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C18H23NO2.C2H2O4/c1-19-13-16(12-15-8-4-3-5-9-15)14-21-18-11-7-6-10-17(18)20-2;3-1(4)2(5)6/h3-11,16,19H,12-14H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyFYKDCBXSCNPESO-UHFFFAOYSA-N
XLogP2.31
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis[2-benzyl-3-(2-methoxyphenoxy)-1-(methylamino)propyl] oxalate
CID 70390178
2-benzyl-N-methyl-3-phenylmethoxypropan-1-amine
CID 102940419
3-(2-methoxyphenoxy)-2-methylpropanoic acid
CID 43537701
[2-hydroxy-3-(2-methoxyphenoxy)propyl]-methylcarbamic acid
CID 54242139
methyl 2-[[2-(2-methoxyphenoxy)acetyl]amino]-3-phenylpropanoate
CID 17177933
methanamine;1-(2-methoxyphenoxy)-3-(propan-2-ylamino)butan-2-ol;oxalic acid
CID 70043339
3-(2-methoxyphenoxy)-2-(2-methoxyphenyl)propanoic acid
CID 117244346
[(2S)-1,2-dihydroxy-3-(2-methoxyphenoxy)propyl]carbamic acid
CID 165430264
2-acetamido-3-(2-methoxyphenoxy)propanoic acid
CID 65443160
2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N-methylacetamide
CID 60901229
2-benzyl-N,4-dimethylpentan-1-amine
CID 62529459
1-(1,2-diphenylethyl)-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 55589771

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-(2-methoxyphenoxy)-N-methylpropan-1-amine;oxalic acid?
The IUPAC name of 2-benzyl-3-(2-methoxyphenoxy)-N-methylpropan-1-amine;oxalic acid (CID 21243396) is 2-benzyl-3-(2-methoxyphenoxy)-N-methylpropan-1-amine;oxalic acid.
What is the SMILES notation for 2-benzyl-3-(2-methoxyphenoxy)-N-methylpropan-1-amine;oxalic acid?
The canonical SMILES for 2-benzyl-3-(2-methoxyphenoxy)-N-methylpropan-1-amine;oxalic acid is CNCC(COc1ccccc1OC)Cc1ccccc1.O=C(O)C(=O)O.
What is the InChIKey of 2-benzyl-3-(2-methoxyphenoxy)-N-methylpropan-1-amine;oxalic acid?
The InChIKey is FYKDCBXSCNPESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2.C2H2O4/c1-19-13-16(12-15-8-4-3-5-9-15)14-21-18-11-7-6-10-17(18)20-2;3-1(4)2(5)6/h3-11,16,19H,12-14H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of 2-benzyl-3-(2-methoxyphenoxy)-N-methylpropan-1-amine;oxalic acid?
2-benzyl-3-(2-methoxyphenoxy)-N-methylpropan-1-amine;oxalic acid has a molecular weight of 375.42 g/mol, XLogP of 2.31, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-(2-methoxyphenoxy)-N-methylpropan-1-amine;oxalic acid is sourced from PubChem (CID 21243396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).