1-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propan-1-amine

C14H23NO3 — CID 43200660

IUPAC1-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propan-1-amine
SMILESCCC(NCCOC)c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H23NO3/c1-5-12(15-8-9-16-2)11-6-7-13(17-3)14(10-11)18-4/h6-7,10,12,15H,5,8-9H2,1-4H3
InChIKeyCOUPTKICDCJCQH-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.39
Rot. Bonds8

About 1-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propan-1-amine

1-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propan-1-amine (PubChem CID 43200660) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propan-1-amine
PubChem CID43200660
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propan-1-amine
SMILESCCC(NCCOC)c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H23NO3/c1-5-12(15-8-9-16-2)11-6-7-13(17-3)14(10-11)18-4/h6-7,10,12,15H,5,8-9H2,1-4H3
InChIKeyCOUPTKICDCJCQH-UHFFFAOYSA-N
XLogP2.39
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propan-1-amine 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-(3,4-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43200497
N-(2-methoxyethyl)-1-(4-methoxyphenyl)propan-1-amine
CID 43177275
N-[1-(3,4-dimethoxyphenyl)propyl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 62634495
4-[1-(3,4-dimethoxyphenyl)propylamino]butan-2-ol
CID 64912152
3-[1-(3,4-dimethoxyphenyl)propylamino]propanenitrile
CID 43207726
N-[1-(3,4-dimethoxyphenyl)propyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62636259
1-(3,4-dimethoxyphenyl)-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine
CID 103778096
1-(3,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 57046449
1-(3,4-dimethoxyphenyl)-N-propylbutan-1-amine
CID 43494599
1-(3,4-dimethoxyphenyl)-N-(2-methoxypropyl)propan-1-amine
CID 102696299
1-(3,4-dimethoxyphenyl)-N-prop-2-enylpropan-1-amine
CID 43200540
1-(4-methoxy-3-methylphenyl)-N-propylpropan-1-amine
CID 43498177

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propan-1-amine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propan-1-amine (CID 43200660) is 1-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propan-1-amine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propan-1-amine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propan-1-amine is CCC(NCCOC)c1ccc(OC)c(OC)c1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propan-1-amine?
The InChIKey is COUPTKICDCJCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-5-12(15-8-9-16-2)11-6-7-13(17-3)14(10-11)18-4/h6-7,10,12,15H,5,8-9H2,1-4H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propan-1-amine?
1-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propan-1-amine has a molecular weight of 253.34 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propan-1-amine is sourced from PubChem (CID 43200660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).