3-(3-methoxyphenoxy)-N,N-dimethylpropan-1-amine;oxalic acid

C14H21NO6 — CID 2935713

IUPAC3-(3-methoxyphenoxy)-N,N-dimethylpropan-1-amine;oxalic acid
SMILESCOc1cccc(OCCCN(C)C)c1.O=C(O)C(=O)O
InChIInChI=1S/C12H19NO2.C2H2O4/c1-13(2)8-5-9-15-12-7-4-6-11(10-12)14-3;3-1(4)2(5)6/h4,6-7,10H,5,8-9H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyDUZMWWOTVZXWTF-UHFFFAOYSA-N
MW299.32 g/mol
LogP1.18
Rot. Bonds6

About 3-(3-methoxyphenoxy)-N,N-dimethylpropan-1-amine;oxalic acid

3-(3-methoxyphenoxy)-N,N-dimethylpropan-1-amine;oxalic acid (PubChem CID 2935713) has the molecular formula C14H21NO6 and a molecular weight of 299.32 g/mol. Its IUPAC name is 3-(3-methoxyphenoxy)-N,N-dimethylpropan-1-amine;oxalic acid.

Molecular Properties

Compound Name3-(3-methoxyphenoxy)-N,N-dimethylpropan-1-amine;oxalic acid
PubChem CID2935713
Molecular FormulaC14H21NO6
Molecular Weight299.32 g/mol
Exact Mass299.14
IUPAC Name3-(3-methoxyphenoxy)-N,N-dimethylpropan-1-amine;oxalic acid
SMILESCOc1cccc(OCCCN(C)C)c1.O=C(O)C(=O)O
InChIInChI=1S/C12H19NO2.C2H2O4/c1-13(2)8-5-9-15-12-7-4-6-11(10-12)14-3;3-1(4)2(5)6/h4,6-7,10H,5,8-9H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyDUZMWWOTVZXWTF-UHFFFAOYSA-N
XLogP1.18
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-(3-methoxyphenoxy)-N,N-dimethylethanamine
CID 10081369
N-[2-(dimethylamino)ethyl]-4-(3-methoxyphenoxy)butanamide
CID 110486942
3-(3-butoxyphenoxy)-N,N-dimethylpropan-1-amine
CID 2993413
N-[2-(3-methoxyphenoxy)ethyl]-N-methylacetamide
CID 118193850
methyl 2-[3-[3-(dimethylamino)propoxy]phenyl]acetate
CID 153300961
3-(dimethylamino)propyl 3-methoxybenzoate;hydrochloride
CID 2913040
N-[3-[3-(dimethylamino)propoxy]phenyl]acetamide
CID 71811695
N,N-dimethyl-3-(3-phenylphenoxy)propan-1-amine
CID 21281267
N-[2-(3-methoxyphenoxy)ethyl]-2-methylpropan-2-amine;oxalic acid
CID 2865974
2-[3-(3-methoxyphenoxy)propanoyl-methylamino]acetic acid
CID 110837124
1-[3-(3-methoxyphenoxy)propyl]azepane;oxalic acid
CID 2944095
4-(3-methoxyphenoxy)-1-phenylbutan-1-one
CID 43218335

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenoxy)-N,N-dimethylpropan-1-amine;oxalic acid?
The IUPAC name of 3-(3-methoxyphenoxy)-N,N-dimethylpropan-1-amine;oxalic acid (CID 2935713) is 3-(3-methoxyphenoxy)-N,N-dimethylpropan-1-amine;oxalic acid.
What is the SMILES notation for 3-(3-methoxyphenoxy)-N,N-dimethylpropan-1-amine;oxalic acid?
The canonical SMILES for 3-(3-methoxyphenoxy)-N,N-dimethylpropan-1-amine;oxalic acid is COc1cccc(OCCCN(C)C)c1.O=C(O)C(=O)O.
What is the InChIKey of 3-(3-methoxyphenoxy)-N,N-dimethylpropan-1-amine;oxalic acid?
The InChIKey is DUZMWWOTVZXWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2.C2H2O4/c1-13(2)8-5-9-15-12-7-4-6-11(10-12)14-3;3-1(4)2(5)6/h4,6-7,10H,5,8-9H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of 3-(3-methoxyphenoxy)-N,N-dimethylpropan-1-amine;oxalic acid?
3-(3-methoxyphenoxy)-N,N-dimethylpropan-1-amine;oxalic acid has a molecular weight of 299.32 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenoxy)-N,N-dimethylpropan-1-amine;oxalic acid is sourced from PubChem (CID 2935713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).