1-(3,4-diethoxyphenyl)-N-methyl-1-(2-methylcyclopropyl)methanamine

C16H25NO2 — CID 43483728

IUPAC1-(3,4-diethoxyphenyl)-N-methyl-1-(2-methylcyclopropyl)methanamine
SMILESCCOc1ccc(C(NC)C2CC2C)cc1OCC
InChIInChI=1S/C16H25NO2/c1-5-18-14-8-7-12(10-15(14)19-6-2)16(17-4)13-9-11(13)3/h7-8,10-11,13,16-17H,5-6,9H2,1-4H3
InChIKeyIENPKXUNHYWPPK-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.40
Rot. Bonds7

About 1-(3,4-diethoxyphenyl)-N-methyl-1-(2-methylcyclopropyl)methanamine

1-(3,4-diethoxyphenyl)-N-methyl-1-(2-methylcyclopropyl)methanamine (PubChem CID 43483728) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(3,4-diethoxyphenyl)-N-methyl-1-(2-methylcyclopropyl)methanamine.

Molecular Properties

Compound Name1-(3,4-diethoxyphenyl)-N-methyl-1-(2-methylcyclopropyl)methanamine
PubChem CID43483728
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(3,4-diethoxyphenyl)-N-methyl-1-(2-methylcyclopropyl)methanamine
SMILESCCOc1ccc(C(NC)C2CC2C)cc1OCC
InChIInChI=1S/C16H25NO2/c1-5-18-14-8-7-12(10-15(14)19-6-2)16(17-4)13-9-11(13)3/h7-8,10-11,13,16-17H,5-6,9H2,1-4H3
InChIKeyIENPKXUNHYWPPK-UHFFFAOYSA-N
XLogP3.40
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(2-methylcyclopropyl)-1-(4-methylphenyl)methanamine
CID 43481824
1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 104657499
2-cyclobutyl-1-(3,4-diethoxyphenyl)-N-methylethanamine
CID 115863730
1-(azetidin-3-yl)-1-(4-ethoxy-3-methylphenyl)-N-methylmethanamine
CID 116950761
N-[(2-ethoxy-5-methylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine
CID 62303505
1-(3-bromo-4-ethoxyphenyl)-1-cycloheptyl-N-methylmethanamine
CID 104657479
N-[(4-methoxy-3-methylphenyl)-(2-methylcyclopropyl)methyl]ethanamine
CID 43493659
1-(3,4-diethoxyphenyl)-N,2-dimethylpentan-1-amine
CID 43483715
(1S)-1-(3,4-diethoxyphenyl)propan-1-ol
CID 82758130
[(3,4-diethoxyphenyl)-(oxolan-3-yl)methyl]hydrazine
CID 105229485
N-[(3,4-diethoxyphenyl)-(thiolan-3-yl)methyl]ethanamine
CID 105143428
1-(3,4-diethoxyphenyl)-2-methoxy-N,3-dimethylbutan-1-amine
CID 116720003

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethoxyphenyl)-N-methyl-1-(2-methylcyclopropyl)methanamine?
The IUPAC name of 1-(3,4-diethoxyphenyl)-N-methyl-1-(2-methylcyclopropyl)methanamine (CID 43483728) is 1-(3,4-diethoxyphenyl)-N-methyl-1-(2-methylcyclopropyl)methanamine.
What is the SMILES notation for 1-(3,4-diethoxyphenyl)-N-methyl-1-(2-methylcyclopropyl)methanamine?
The canonical SMILES for 1-(3,4-diethoxyphenyl)-N-methyl-1-(2-methylcyclopropyl)methanamine is CCOc1ccc(C(NC)C2CC2C)cc1OCC.
What is the InChIKey of 1-(3,4-diethoxyphenyl)-N-methyl-1-(2-methylcyclopropyl)methanamine?
The InChIKey is IENPKXUNHYWPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-18-14-8-7-12(10-15(14)19-6-2)16(17-4)13-9-11(13)3/h7-8,10-11,13,16-17H,5-6,9H2,1-4H3.
What are the key properties of 1-(3,4-diethoxyphenyl)-N-methyl-1-(2-methylcyclopropyl)methanamine?
1-(3,4-diethoxyphenyl)-N-methyl-1-(2-methylcyclopropyl)methanamine has a molecular weight of 263.38 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diethoxyphenyl)-N-methyl-1-(2-methylcyclopropyl)methanamine is sourced from PubChem (CID 43483728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).