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

C18H24ClNO3 — CID 121230760

IUPAC2-(2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine;hydrochloride
SMILESCOc1ccc(OC)c(CCNCc2ccccc2OC)c1.Cl
InChIInChI=1S/C18H23NO3.ClH/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;1H
InChIKeyOOFBPLRIHRHTBL-UHFFFAOYSA-N
MW337.85 g/mol
LogP3.47
Rot. Bonds8

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

2-(2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine;hydrochloride (PubChem CID 121230760) has the molecular formula C18H24ClNO3 and a molecular weight of 337.85 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine;hydrochloride
PubChem CID121230760
Molecular FormulaC18H24ClNO3
Molecular Weight337.85 g/mol
Exact Mass337.14
IUPAC Name2-(2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine;hydrochloride
SMILESCOc1ccc(OC)c(CCNCc2ccccc2OC)c1.Cl
InChIInChI=1S/C18H23NO3.ClH/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;1H
InChIKeyOOFBPLRIHRHTBL-UHFFFAOYSA-N
XLogP3.47
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 53.47
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

N'-[2-(2,5-dimethoxyphenyl)ethyl]-N-methylmethanediamine
CID 115227129
N-[2-(2,5-dimethoxyphenyl)ethyl]propan-1-amine
CID 39245762
2-(4-chloro-2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 46856354
N-[(2,4-dimethoxyphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 17293467
2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-N-[(2-methoxyphenyl)methyl]ethanamine
CID 162430094
1-(2,3-dimethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]methanamine
CID 23882259
2-(2,4-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 2162369
4-[2-[(2,5-dimethoxyphenyl)methylamino]ethyl]phenol
CID 61239059
4-[2-(2,5-dimethoxyphenyl)ethylamino]butan-1-ol
CID 115217746
N-[(2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine;hydrochloride
CID 17293463
1-[2-(2-chlorophenyl)ethyl]-3-[2-(2,5-dimethoxyphenyl)ethyl]thiourea
CID 11188130
4-[2-(2,5-dimethoxyphenyl)ethylamino]butan-2-one
CID 115235884

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine;hydrochloride?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine;hydrochloride (CID 121230760) is 2-(2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine;hydrochloride.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine;hydrochloride?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine;hydrochloride is COc1ccc(OC)c(CCNCc2ccccc2OC)c1.Cl.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine;hydrochloride?
The InChIKey is OOFBPLRIHRHTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3.ClH/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;1H.
What are the key properties of 2-(2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine;hydrochloride?
2-(2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine;hydrochloride has a molecular weight of 337.85 g/mol, XLogP of 3.47, 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;hydrochloride is sourced from PubChem (CID 121230760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).