2-(3,4-dimethoxyphenyl)-N-[(2-methoxynaphthalen-1-yl)methyl]ethanamine

C22H25NO3 — CID 5158918

IUPAC2-(3,4-dimethoxyphenyl)-N-[(2-methoxynaphthalen-1-yl)methyl]ethanamine
SMILESCOc1ccc(CCNCc2c(OC)ccc3ccccc23)cc1OC
InChIInChI=1S/C22H25NO3/c1-24-20-11-9-17-6-4-5-7-18(17)19(20)15-23-13-12-16-8-10-21(25-2)22(14-16)26-3/h4-11,14,23H,12-13,15H2,1-3H3
InChIKeyDNAHVUHMDMCMFB-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.20
Rot. Bonds8

About 2-(3,4-dimethoxyphenyl)-N-[(2-methoxynaphthalen-1-yl)methyl]ethanamine

2-(3,4-dimethoxyphenyl)-N-[(2-methoxynaphthalen-1-yl)methyl]ethanamine (PubChem CID 5158918) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[(2-methoxynaphthalen-1-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[(2-methoxynaphthalen-1-yl)methyl]ethanamine
PubChem CID5158918
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[(2-methoxynaphthalen-1-yl)methyl]ethanamine
SMILESCOc1ccc(CCNCc2c(OC)ccc3ccccc23)cc1OC
InChIInChI=1S/C22H25NO3/c1-24-20-11-9-17-6-4-5-7-18(17)19(20)15-23-13-12-16-8-10-21(25-2)22(14-16)26-3/h4-11,14,23H,12-13,15H2,1-3H3
InChIKeyDNAHVUHMDMCMFB-UHFFFAOYSA-N
XLogP4.20
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.20
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

2-(3,4-dimethoxyphenyl)-N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine
CID 4715843
N-[(2,6-dichlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)ethanamine;hydrochloride
CID 17290505
3-[(2-methoxynaphthalen-1-yl)methylamino]propanenitrile
CID 43215614
3,3,3-trifluoro-N-[(2-methoxynaphthalen-1-yl)methyl]propan-1-amine
CID 63226555
2-(3,4-dimethoxyphenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]ethanamine
CID 17410141
N-[(2-bromophenyl)methyl]-2-(3,4-dimethoxyphenyl)ethanamine
CID 2163807
2-(3,4-dimethoxyphenyl)-N-[(4-ethylphenyl)methyl]ethanamine;hydrochloride
CID 17290561
N-[(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)methyl]-2-(3,4-dimethoxyphenyl)ethanamine
CID 66537304
2-(3,4-dimethoxyphenyl)-N-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 53272828
3-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-1-[(4-methoxyphenyl)methyl]indole-2-carboxylic acid
CID 53208361
1-[2-[(2-methoxynaphthalen-1-yl)methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 17295794
N-[(2-methoxynaphthalen-1-yl)methyl]-2-(2-methylpropoxy)ethanamine
CID 115584591

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(2-methoxynaphthalen-1-yl)methyl]ethanamine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(2-methoxynaphthalen-1-yl)methyl]ethanamine (CID 5158918) is 2-(3,4-dimethoxyphenyl)-N-[(2-methoxynaphthalen-1-yl)methyl]ethanamine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[(2-methoxynaphthalen-1-yl)methyl]ethanamine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[(2-methoxynaphthalen-1-yl)methyl]ethanamine is COc1ccc(CCNCc2c(OC)ccc3ccccc23)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[(2-methoxynaphthalen-1-yl)methyl]ethanamine?
The InChIKey is DNAHVUHMDMCMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3/c1-24-20-11-9-17-6-4-5-7-18(17)19(20)15-23-13-12-16-8-10-21(25-2)22(14-16)26-3/h4-11,14,23H,12-13,15H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[(2-methoxynaphthalen-1-yl)methyl]ethanamine?
2-(3,4-dimethoxyphenyl)-N-[(2-methoxynaphthalen-1-yl)methyl]ethanamine has a molecular weight of 351.45 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[(2-methoxynaphthalen-1-yl)methyl]ethanamine is sourced from PubChem (CID 5158918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).