N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)ethanamine

C18H23NO3 — CID 2250212

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(CCNCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C18H23NO3/c1-20-16-7-4-14(5-8-16)10-11-19-13-15-6-9-17(21-2)18(12-15)22-3/h4-9,12,19H,10-11,13H2,1-3H3
InChIKeyLCTGGPPJOAIRSI-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.04
Rot. Bonds8

About N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)ethanamine

N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)ethanamine (PubChem CID 2250212) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)ethanamine
PubChem CID2250212
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(CCNCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C18H23NO3/c1-20-16-7-4-14(5-8-16)10-11-19-13-15-6-9-17(21-2)18(12-15)22-3/h4-9,12,19H,10-11,13H2,1-3H3
InChIKeyLCTGGPPJOAIRSI-UHFFFAOYSA-N
XLogP3.04
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)ethanamine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)ethanamine (CID 2250212) is N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)ethanamine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)ethanamine is COc1ccc(CCNCc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)ethanamine?
The InChIKey is LCTGGPPJOAIRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-20-16-7-4-14(5-8-16)10-11-19-13-15-6-9-17(21-2)18(12-15)22-3/h4-9,12,19H,10-11,13H2,1-3H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)ethanamine?
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)ethanamine has a molecular weight of 301.39 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 2250212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).