2-(2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine

C18H23NO3 — CID 39424372

IUPAC2-(2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
SMILESCOc1ccc(OC)c(CCNCc2ccccc2OC)c1
InChIInChI=1S/C18H23NO3/c1-20-16-8-9-18(22-3)14(12-16)10-11-19-13-15-6-4-5-7-17(15)21-2/h4-9,12,19H,10-11,13H2,1-3H3
InChIKeyRMLXCDMTGWSEOU-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.04
Rot. Bonds8

About 2-(2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine

2-(2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine (PubChem CID 39424372) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
PubChem CID39424372
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name2-(2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
SMILESCOc1ccc(OC)c(CCNCc2ccccc2OC)c1
InChIInChI=1S/C18H23NO3/c1-20-16-8-9-18(22-3)14(12-16)10-11-19-13-15-6-4-5-7-17(15)21-2/h4-9,12,19H,10-11,13H2,1-3H3
InChIKeyRMLXCDMTGWSEOU-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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Related Compounds

CP-122721
CID 9821217
(+-)-2,5-Dimethoxyamphetamine
CID 62787
25I-NBOMe
CID 10251906
Methoctramine
CID 107759
2,5-Dimethoxyphenethylamine
CID 76632
CP-100263
CID 9796216
Cimbi-36
CID 9977044
4-(2-(((2-Hydroxyphenyl)methyl)amino)ethyl)-2,5-dimethoxybenzonitrile
CID 90489020
Cimbi-36 C-11
CID 50937472
CP-99994
CID 5311057
2-(((2-(4-Iodo-2,5-dimethoxyphenyl)ethyl)amino)methyl)phenol
CID 10001761
2,5-Dimethoxyamphetamine hydrochloride
CID 62786

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine (CID 39424372) is 2-(2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine is COc1ccc(OC)c(CCNCc2ccccc2OC)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine?
The InChIKey is RMLXCDMTGWSEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-20-16-8-9-18(22-3)14(12-16)10-11-19-13-15-6-4-5-7-17(15)21-2/h4-9,12,19H,10-11,13H2,1-3H3.
What are the key properties of 2-(2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine?
2-(2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]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 2-(2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 39424372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).