N-methyl-3-(3-phenoxyphenoxy)propan-1-amine;oxalic acid

C18H21NO6 — CID 2949339

IUPACN-methyl-3-(3-phenoxyphenoxy)propan-1-amine;oxalic acid
SMILESCNCCCOc1cccc(Oc2ccccc2)c1.O=C(O)C(=O)O
InChIInChI=1S/C16H19NO2.C2H2O4/c1-17-11-6-12-18-15-9-5-10-16(13-15)19-14-7-3-2-4-8-14;3-1(4)2(5)6/h2-5,7-10,13,17H,6,11-12H2,1H3;(H,3,4)(H,5,6)
InChIKeyKZFZOQJNDXFCTB-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.62
Rot. Bonds7

About N-methyl-3-(3-phenoxyphenoxy)propan-1-amine;oxalic acid

N-methyl-3-(3-phenoxyphenoxy)propan-1-amine;oxalic acid (PubChem CID 2949339) has the molecular formula C18H21NO6 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-methyl-3-(3-phenoxyphenoxy)propan-1-amine;oxalic acid.

Molecular Properties

Compound NameN-methyl-3-(3-phenoxyphenoxy)propan-1-amine;oxalic acid
PubChem CID2949339
Molecular FormulaC18H21NO6
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC NameN-methyl-3-(3-phenoxyphenoxy)propan-1-amine;oxalic acid
SMILESCNCCCOc1cccc(Oc2ccccc2)c1.O=C(O)C(=O)O
InChIInChI=1S/C16H19NO2.C2H2O4/c1-17-11-6-12-18-15-9-5-10-16(13-15)19-14-7-3-2-4-8-14;3-1(4)2(5)6/h2-5,7-10,13,17H,6,11-12H2,1H3;(H,3,4)(H,5,6)
InChIKeyKZFZOQJNDXFCTB-UHFFFAOYSA-N
XLogP2.62
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-methyl-3-(3-phenoxyphenoxy)propan-1-amine;oxalic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-Methoxyphenoxy)-3-(methylamino)propan-2-ol
CID 3107873
ethyl N-[3-(3-methoxyphenoxy)-2-hydroxypropyl]-3-aminopropanoate
CID 15578596
N-[3-(3-ethoxyphenoxy)propyl]-3-methoxypropan-1-amine
CID 2299290
N-(2-methoxyethyl)-2-(3-phenoxyphenoxy)acetamide
CID 2307600
N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-methyl-2-propanamine oxalate
CID 2866066
N-{2-[2-(3-ethoxyphenoxy)ethoxy]ethyl}-2-methyl-2-propanamine oxalate
CID 2922268
N,N-dimethyl-3-(3-phenoxyphenoxy)-1-propanamine oxalate
CID 2934244
2,6-Dimethyl-4-[2-(3-phenoxyphenoxy)ethyl]morpholine oxalate
CID 2935247
2,6-Dimethyl-4-[4-(3-phenoxyphenoxy)butyl]morpholine oxalate
CID 2936122
1-[3-(3-Methoxyphenoxy)propyl]azepane oxalate
CID 2944095
[4-(4-Methoxyphenoxy)-2-butyn-1-yl](3-methoxypropyl)amine oxalate
CID 2944719
[3-(3-Isopropoxyphenoxy)propyl]methylamine oxalate
CID 2948760

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(3-phenoxyphenoxy)propan-1-amine;oxalic acid?
The IUPAC name of N-methyl-3-(3-phenoxyphenoxy)propan-1-amine;oxalic acid (CID 2949339) is N-methyl-3-(3-phenoxyphenoxy)propan-1-amine;oxalic acid.
What is the SMILES notation for N-methyl-3-(3-phenoxyphenoxy)propan-1-amine;oxalic acid?
The canonical SMILES for N-methyl-3-(3-phenoxyphenoxy)propan-1-amine;oxalic acid is CNCCCOc1cccc(Oc2ccccc2)c1.O=C(O)C(=O)O.
What is the InChIKey of N-methyl-3-(3-phenoxyphenoxy)propan-1-amine;oxalic acid?
The InChIKey is KZFZOQJNDXFCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2.C2H2O4/c1-17-11-6-12-18-15-9-5-10-16(13-15)19-14-7-3-2-4-8-14;3-1(4)2(5)6/h2-5,7-10,13,17H,6,11-12H2,1H3;(H,3,4)(H,5,6).
What are the key properties of N-methyl-3-(3-phenoxyphenoxy)propan-1-amine;oxalic acid?
N-methyl-3-(3-phenoxyphenoxy)propan-1-amine;oxalic acid has a molecular weight of 347.37 g/mol, XLogP of 2.62, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3-phenoxyphenoxy)propan-1-amine;oxalic acid is sourced from PubChem (CID 2949339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).