2-[3,4-dimethoxy-5-(2-methyl-1H-indol-3-yl)phenyl]ethanamine

C19H22N2O2 — CID 82039882

IUPAC2-[3,4-dimethoxy-5-(2-methyl-1H-indol-3-yl)phenyl]ethanamine
SMILESCOc1cc(CCN)cc(-c2c(C)[nH]c3ccccc23)c1OC
InChIInChI=1S/C19H22N2O2/c1-12-18(14-6-4-5-7-16(14)21-12)15-10-13(8-9-20)11-17(22-2)19(15)23-3/h4-7,10-11,21H,8-9,20H2,1-3H3
InChIKeyUEFDHRFHSYQXCV-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.66
Rot. Bonds5

About 2-[3,4-dimethoxy-5-(2-methyl-1H-indol-3-yl)phenyl]ethanamine

2-[3,4-dimethoxy-5-(2-methyl-1H-indol-3-yl)phenyl]ethanamine (PubChem CID 82039882) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-[3,4-dimethoxy-5-(2-methyl-1H-indol-3-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3,4-dimethoxy-5-(2-methyl-1H-indol-3-yl)phenyl]ethanamine
PubChem CID82039882
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name2-[3,4-dimethoxy-5-(2-methyl-1H-indol-3-yl)phenyl]ethanamine
SMILESCOc1cc(CCN)cc(-c2c(C)[nH]c3ccccc23)c1OC
InChIInChI=1S/C19H22N2O2/c1-12-18(14-6-4-5-7-16(14)21-12)15-10-13(8-9-20)11-17(22-2)19(15)23-3/h4-7,10-11,21H,8-9,20H2,1-3H3
InChIKeyUEFDHRFHSYQXCV-UHFFFAOYSA-N
XLogP3.66
TPSA60.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethoxy-5-phenylphenyl)ethanamine
CID 82038802
[2,3-dimethoxy-5-(2-methyl-1H-indol-3-yl)phenyl]methanamine
CID 39225191
2-[3-(2-fluorophenyl)-4,5-dimethoxyphenyl]ethanamine
CID 82038950
2-(3,4-dimethoxy-5-pyridin-2-ylphenyl)ethanamine
CID 39226519
2-(3,4-dimethoxy-5-pyridin-3-ylphenyl)ethanamine
CID 39226574
2-[3,4-dimethoxy-5-(8-methoxyquinolin-5-yl)phenyl]ethanamine
CID 82039989
bis(2-(2-methyl-1H-indol-3-yl)ethanamine);hydrochloride
CID 169440945
2-[4-(2-methyl-1H-indol-3-yl)-1H-imidazol-5-yl]ethanamine
CID 82292793
2-[3-chloro-5-methoxy-4-(2-phenylethoxy)phenyl]ethanamine
CID 20986329
2-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]ethanamine;hydrochloride
CID 146049973
2-[4-methoxy-3-(2-methylphenyl)phenyl]ethanamine
CID 82038847
2-(6-methoxy-2,5-dimethyl-1H-indol-3-yl)ethanamine
CID 105472777

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-dimethoxy-5-(2-methyl-1H-indol-3-yl)phenyl]ethanamine?
The IUPAC name of 2-[3,4-dimethoxy-5-(2-methyl-1H-indol-3-yl)phenyl]ethanamine (CID 82039882) is 2-[3,4-dimethoxy-5-(2-methyl-1H-indol-3-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[3,4-dimethoxy-5-(2-methyl-1H-indol-3-yl)phenyl]ethanamine?
The canonical SMILES for 2-[3,4-dimethoxy-5-(2-methyl-1H-indol-3-yl)phenyl]ethanamine is COc1cc(CCN)cc(-c2c(C)[nH]c3ccccc23)c1OC.
What is the InChIKey of 2-[3,4-dimethoxy-5-(2-methyl-1H-indol-3-yl)phenyl]ethanamine?
The InChIKey is UEFDHRFHSYQXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-12-18(14-6-4-5-7-16(14)21-12)15-10-13(8-9-20)11-17(22-2)19(15)23-3/h4-7,10-11,21H,8-9,20H2,1-3H3.
What are the key properties of 2-[3,4-dimethoxy-5-(2-methyl-1H-indol-3-yl)phenyl]ethanamine?
2-[3,4-dimethoxy-5-(2-methyl-1H-indol-3-yl)phenyl]ethanamine has a molecular weight of 310.40 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-dimethoxy-5-(2-methyl-1H-indol-3-yl)phenyl]ethanamine is sourced from PubChem (CID 82039882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).