2-(3,4-dimethoxyphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)ethanamine

C22H25NO2 — CID 779759

IUPAC2-(3,4-dimethoxyphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)ethanamine
SMILESCOc1ccc(CCN(C)Cc2cccc3ccccc23)cc1OC
InChIInChI=1S/C22H25NO2/c1-23(14-13-17-11-12-21(24-2)22(15-17)25-3)16-19-9-6-8-18-7-4-5-10-20(18)19/h4-12,15H,13-14,16H2,1-3H3
InChIKeyOSTRREFNAIAIQV-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.53
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)ethanamine

2-(3,4-dimethoxyphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)ethanamine (PubChem CID 779759) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)ethanamine
PubChem CID779759
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name2-(3,4-dimethoxyphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)ethanamine
SMILESCOc1ccc(CCN(C)Cc2cccc3ccccc23)cc1OC
InChIInChI=1S/C22H25NO2/c1-23(14-13-17-11-12-21(24-2)22(15-17)25-3)16-19-9-6-8-18-7-4-5-10-20(18)19/h4-12,15H,13-14,16H2,1-3H3
InChIKeyOSTRREFNAIAIQV-UHFFFAOYSA-N
XLogP4.53
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(-)-Tetrahydropalmatine
CID 72301
Laudanosine
CID 73397
6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-isoquinoline
CID 27694
(-)-Nuciferine
CID 10146
Antofine
CID 639288
(+-)-Laudanosine
CID 15548
Rotundine
CID 5417
3,4-Dimethoxy-N,N-dimethyl-1-phenanthreneethanamine
CID 96918
(14aR)-11,12,13,14,14a,15-Hexahydro-2,3,6-trimethoxy-9H-phenanthro(9,10-b)quinolizine
CID 92765
Aprphine, 1,2-dimethoxy-, (+-)-
CID 22156
6,7-Dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 151186
N-(4-Methoxybenzyl)-1-(naphthalen-1-yl)methanamine
CID 781301

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)ethanamine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)ethanamine (CID 779759) is 2-(3,4-dimethoxyphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)ethanamine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)ethanamine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)ethanamine is COc1ccc(CCN(C)Cc2cccc3ccccc23)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)ethanamine?
The InChIKey is OSTRREFNAIAIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2/c1-23(14-13-17-11-12-21(24-2)22(15-17)25-3)16-19-9-6-8-18-7-4-5-10-20(18)19/h4-12,15H,13-14,16H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)ethanamine?
2-(3,4-dimethoxyphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)ethanamine has a molecular weight of 335.45 g/mol, XLogP of 4.53, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)ethanamine is sourced from PubChem (CID 779759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).