N-[[3-(2,5-dimethoxyphenyl)-4-methylphenyl]methyl]ethanamine

C18H23NO2 — CID 105408656

IUPACN-[[3-(2,5-dimethoxyphenyl)-4-methylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(C)c(-c2cc(OC)ccc2OC)c1
InChIInChI=1S/C18H23NO2/c1-5-19-12-14-7-6-13(2)16(10-14)17-11-15(20-3)8-9-18(17)21-4/h6-11,19H,5,12H2,1-4H3
InChIKeyDJXIBGDLIZFOMY-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.79
Rot. Bonds6

About N-[[3-(2,5-dimethoxyphenyl)-4-methylphenyl]methyl]ethanamine

N-[[3-(2,5-dimethoxyphenyl)-4-methylphenyl]methyl]ethanamine (PubChem CID 105408656) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[[3-(2,5-dimethoxyphenyl)-4-methylphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(2,5-dimethoxyphenyl)-4-methylphenyl]methyl]ethanamine
PubChem CID105408656
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-[[3-(2,5-dimethoxyphenyl)-4-methylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(C)c(-c2cc(OC)ccc2OC)c1
InChIInChI=1S/C18H23NO2/c1-5-19-12-14-7-6-13(2)16(10-14)17-11-15(20-3)8-9-18(17)21-4/h6-11,19H,5,12H2,1-4H3
InChIKeyDJXIBGDLIZFOMY-UHFFFAOYSA-N
XLogP3.79
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(4-methoxy-3-methylphenyl)-4-methylphenyl]methyl]ethanamine
CID 105409944
N-[[4-methyl-3-(2,4,5-trimethylphenyl)phenyl]methyl]ethanamine
CID 105408911
N-[[3-(5-chloro-2-methoxyphenyl)-4-methylphenyl]methyl]propan-1-amine
CID 105408414
2-(2,5-dimethoxyphenyl)-1,4-dimethylbenzene
CID 9003880
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxy-4-methylphenyl)methanamine
CID 122598505
N-[[3-(4-fluorophenoxy)-4-methylphenyl]methyl]ethanamine
CID 105406759
N-[[3-(2,3-dimethylphenyl)-4-methylphenyl]methyl]ethanamine
CID 105408635
N-[[3-fluoro-4-(4-methoxyphenoxy)phenyl]methyl]ethanamine
CID 43283372
N-[[4-(2-methoxy-3,4-dimethylphenyl)-3-methylphenyl]methyl]ethanamine
CID 103434154
N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 4717500
N-[(6,7-dimethoxynaphthalen-2-yl)methyl]ethanamine;hydrochloride
CID 20541787
N-[[3-(3,5-dimethylphenyl)-4-methylphenyl]methyl]ethanamine
CID 105408285

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,5-dimethoxyphenyl)-4-methylphenyl]methyl]ethanamine?
The IUPAC name of N-[[3-(2,5-dimethoxyphenyl)-4-methylphenyl]methyl]ethanamine (CID 105408656) is N-[[3-(2,5-dimethoxyphenyl)-4-methylphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(2,5-dimethoxyphenyl)-4-methylphenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-(2,5-dimethoxyphenyl)-4-methylphenyl]methyl]ethanamine is CCNCc1ccc(C)c(-c2cc(OC)ccc2OC)c1.
What is the InChIKey of N-[[3-(2,5-dimethoxyphenyl)-4-methylphenyl]methyl]ethanamine?
The InChIKey is DJXIBGDLIZFOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-5-19-12-14-7-6-13(2)16(10-14)17-11-15(20-3)8-9-18(17)21-4/h6-11,19H,5,12H2,1-4H3.
What are the key properties of N-[[3-(2,5-dimethoxyphenyl)-4-methylphenyl]methyl]ethanamine?
N-[[3-(2,5-dimethoxyphenyl)-4-methylphenyl]methyl]ethanamine has a molecular weight of 285.39 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,5-dimethoxyphenyl)-4-methylphenyl]methyl]ethanamine is sourced from PubChem (CID 105408656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).