1-[2-(3,4-dimethylphenyl)-4,5-dimethoxyphenyl]-N-methylmethanamine

C18H23NO2 — CID 61032532

IUPAC1-[2-(3,4-dimethylphenyl)-4,5-dimethoxyphenyl]-N-methylmethanamine
SMILESCNCc1cc(OC)c(OC)cc1-c1ccc(C)c(C)c1
InChIInChI=1S/C18H23NO2/c1-12-6-7-14(8-13(12)2)16-10-18(21-5)17(20-4)9-15(16)11-19-3/h6-10,19H,11H2,1-5H3
InChIKeyPISQQRUITCBNJJ-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.71
Rot. Bonds5

About 1-[2-(3,4-dimethylphenyl)-4,5-dimethoxyphenyl]-N-methylmethanamine

1-[2-(3,4-dimethylphenyl)-4,5-dimethoxyphenyl]-N-methylmethanamine (PubChem CID 61032532) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[2-(3,4-dimethylphenyl)-4,5-dimethoxyphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3,4-dimethylphenyl)-4,5-dimethoxyphenyl]-N-methylmethanamine
PubChem CID61032532
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-[2-(3,4-dimethylphenyl)-4,5-dimethoxyphenyl]-N-methylmethanamine
SMILESCNCc1cc(OC)c(OC)cc1-c1ccc(C)c(C)c1
InChIInChI=1S/C18H23NO2/c1-12-6-7-14(8-13(12)2)16-10-18(21-5)17(20-4)9-15(16)11-19-3/h6-10,19H,11H2,1-5H3
InChIKeyPISQQRUITCBNJJ-UHFFFAOYSA-N
XLogP3.71
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3,4-dimethoxyphenyl)-2,6-dimethylphenyl]-N-methylmethanamine
CID 172876699
1-[5-(4-methoxy-3-methylphenyl)-2-methyl-1H-pyrrol-3-yl]-N-methylmethanamine
CID 116828251
1-[4,5-dimethoxy-2-(1-methylimidazol-2-yl)phenyl]-N-methylmethanamine
CID 63974301
1-[4,5-dimethoxy-2-(1,3,5-trimethylpyrazol-4-yl)phenyl]-N-methylmethanamine
CID 61034443
1-[3-(4-chloro-3-methoxyphenyl)-4-methylphenyl]-N-methylmethanamine
CID 105409070
2-methoxy-5-methyl-4-(methylaminomethyl)phenol
CID 105422769
1-[3-(3,4-dimethylphenyl)-1-methylpyrazol-4-yl]-N-methylmethanamine
CID 39096758
1-[6-(3,4-dimethoxyphenyl)-2-methyl-3-pyridinyl]-N-methylmethanamine
CID 82453268
N-[[5-(3,4-dimethylphenyl)-2-methoxyphenyl]methyl]propan-1-amine
CID 63424666
1-[3-(4-methoxy-3-methylphenyl)phenyl]-N-methylmethanamine
CID 61034321
5-[3-methoxy-4-(methylaminomethyl)phenyl]-1,3-dimethylpyridin-2-one
CID 134258720
3-(4-methoxy-3-methylphenyl)-5-(methylaminomethyl)-1H-pyridazin-6-one
CID 82446311

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethylphenyl)-4,5-dimethoxyphenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3,4-dimethylphenyl)-4,5-dimethoxyphenyl]-N-methylmethanamine (CID 61032532) is 1-[2-(3,4-dimethylphenyl)-4,5-dimethoxyphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3,4-dimethylphenyl)-4,5-dimethoxyphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3,4-dimethylphenyl)-4,5-dimethoxyphenyl]-N-methylmethanamine is CNCc1cc(OC)c(OC)cc1-c1ccc(C)c(C)c1.
What is the InChIKey of 1-[2-(3,4-dimethylphenyl)-4,5-dimethoxyphenyl]-N-methylmethanamine?
The InChIKey is PISQQRUITCBNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-12-6-7-14(8-13(12)2)16-10-18(21-5)17(20-4)9-15(16)11-19-3/h6-10,19H,11H2,1-5H3.
What are the key properties of 1-[2-(3,4-dimethylphenyl)-4,5-dimethoxyphenyl]-N-methylmethanamine?
1-[2-(3,4-dimethylphenyl)-4,5-dimethoxyphenyl]-N-methylmethanamine has a molecular weight of 285.39 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethylphenyl)-4,5-dimethoxyphenyl]-N-methylmethanamine is sourced from PubChem (CID 61032532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).