2-(3,4-dimethoxyphenyl)-1-(2-methylcyclopropyl)ethanamine

C14H21NO2 — CID 61078294

IUPAC2-(3,4-dimethoxyphenyl)-1-(2-methylcyclopropyl)ethanamine
SMILESCOc1ccc(CC(N)C2CC2C)cc1OC
InChIInChI=1S/C14H21NO2/c1-9-6-11(9)12(15)7-10-4-5-13(16-2)14(8-10)17-3/h4-5,8-9,11-12H,6-7,15H2,1-3H3
InChIKeyATBSPTXGMSXYNY-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.23
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-1-(2-methylcyclopropyl)ethanamine

2-(3,4-dimethoxyphenyl)-1-(2-methylcyclopropyl)ethanamine (PubChem CID 61078294) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1-(2-methylcyclopropyl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1-(2-methylcyclopropyl)ethanamine
PubChem CID61078294
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-(3,4-dimethoxyphenyl)-1-(2-methylcyclopropyl)ethanamine
SMILESCOc1ccc(CC(N)C2CC2C)cc1OC
InChIInChI=1S/C14H21NO2/c1-9-6-11(9)12(15)7-10-4-5-13(16-2)14(8-10)17-3/h4-5,8-9,11-12H,6-7,15H2,1-3H3
InChIKeyATBSPTXGMSXYNY-UHFFFAOYSA-N
XLogP2.23
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethoxyphenyl)-1-(3,4-dimethylcyclohexyl)ethanamine
CID 64739847
1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanamine
CID 60865346
4-[2-bromo-2-(2-methylcyclopentyl)ethyl]-1,2-dimethoxybenzene
CID 107183641
2-(4-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanamine
CID 107884841
1-[4-(3,4-dimethylcyclohexyl)oxy-3-methoxyphenyl]propan-2-amine
CID 64738457
4-[(2R,3R)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene
CID 515707
2-[1-(3,4-dimethoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83928902
1-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-methylpyrrolidin-3-amine
CID 103575485
2-amino-3-(3,4-dimethoxyphenyl)propanamide
CID 14132751
2-(3,5-difluorophenyl)-1-(2-methylcyclopropyl)ethanamine
CID 105406402
1-(3,4-dimethoxyphenyl)-3-propylhexan-2-amine
CID 82987406
(1R)-1-cyclobutyl-2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanamine
CID 125466518

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-1-(2-methylcyclopropyl)ethanamine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1-(2-methylcyclopropyl)ethanamine (CID 61078294) is 2-(3,4-dimethoxyphenyl)-1-(2-methylcyclopropyl)ethanamine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1-(2-methylcyclopropyl)ethanamine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1-(2-methylcyclopropyl)ethanamine is COc1ccc(CC(N)C2CC2C)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1-(2-methylcyclopropyl)ethanamine?
The InChIKey is ATBSPTXGMSXYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-9-6-11(9)12(15)7-10-4-5-13(16-2)14(8-10)17-3/h4-5,8-9,11-12H,6-7,15H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-1-(2-methylcyclopropyl)ethanamine?
2-(3,4-dimethoxyphenyl)-1-(2-methylcyclopropyl)ethanamine has a molecular weight of 235.33 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-1-(2-methylcyclopropyl)ethanamine is sourced from PubChem (CID 61078294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).