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

C18H20N2O2 — CID 39225191

IUPAC[2,3-dimethoxy-5-(2-methyl-1H-indol-3-yl)phenyl]methanamine
SMILESCOc1cc(-c2c(C)[nH]c3ccccc23)cc(CN)c1OC
InChIInChI=1S/C18H20N2O2/c1-11-17(14-6-4-5-7-15(14)20-11)12-8-13(10-19)18(22-3)16(9-12)21-2/h4-9,20H,10,19H2,1-3H3
InChIKeyTUEHQZYFALTDDC-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.62
Rot. Bonds4

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

[2,3-dimethoxy-5-(2-methyl-1H-indol-3-yl)phenyl]methanamine (PubChem CID 39225191) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is [2,3-dimethoxy-5-(2-methyl-1H-indol-3-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2,3-dimethoxy-5-(2-methyl-1H-indol-3-yl)phenyl]methanamine
PubChem CID39225191
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name[2,3-dimethoxy-5-(2-methyl-1H-indol-3-yl)phenyl]methanamine
SMILESCOc1cc(-c2c(C)[nH]c3ccccc23)cc(CN)c1OC
InChIInChI=1S/C18H20N2O2/c1-11-17(14-6-4-5-7-15(14)20-11)12-8-13(10-19)18(22-3)16(9-12)21-2/h4-9,20H,10,19H2,1-3H3
InChIKeyTUEHQZYFALTDDC-UHFFFAOYSA-N
XLogP3.62
TPSA60.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3,4-dimethoxy-5-(2-methyl-1H-indol-3-yl)phenyl]ethanamine
CID 82039882
[5-(2-chlorophenyl)-2,3-dimethoxyphenyl]methanamine
CID 39224806
[5-(4-chlorophenyl)-2,3-dimethoxyphenyl]methanamine
CID 39224816
4-(2-methyl-1H-indol-3-yl)phenol
CID 69113078
[5-(3-fluorophenyl)-2,3-dimethoxyphenyl]methanamine
CID 82106998
[4-(2-methyl-1H-indol-3-yl)-3-pyridinyl]methanamine
CID 83919208
2-[3-(aminomethyl)-4,5-dimethoxyphenyl]-4-methylaniline
CID 39224781
11-(3,4,5-trimethoxyphenyl)-10H-indolo[3,2-b][1]benzazepin-12-one
CID 146170256
4-(2-methyl-1H-indol-3-yl)benzonitrile
CID 39231480
2-phenyl-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole
CID 71546977
[6-(2-methyl-1H-indol-3-yl)pyridazin-3-yl]methanamine
CID 82292200
3-(aminomethyl)-4,5-dimethoxyphenol
CID 117279442

Frequently Asked Questions

What is the IUPAC name of [2,3-dimethoxy-5-(2-methyl-1H-indol-3-yl)phenyl]methanamine?
The IUPAC name of [2,3-dimethoxy-5-(2-methyl-1H-indol-3-yl)phenyl]methanamine (CID 39225191) is [2,3-dimethoxy-5-(2-methyl-1H-indol-3-yl)phenyl]methanamine.
What is the SMILES notation for [2,3-dimethoxy-5-(2-methyl-1H-indol-3-yl)phenyl]methanamine?
The canonical SMILES for [2,3-dimethoxy-5-(2-methyl-1H-indol-3-yl)phenyl]methanamine is COc1cc(-c2c(C)[nH]c3ccccc23)cc(CN)c1OC.
What is the InChIKey of [2,3-dimethoxy-5-(2-methyl-1H-indol-3-yl)phenyl]methanamine?
The InChIKey is TUEHQZYFALTDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-11-17(14-6-4-5-7-15(14)20-11)12-8-13(10-19)18(22-3)16(9-12)21-2/h4-9,20H,10,19H2,1-3H3.
What are the key properties of [2,3-dimethoxy-5-(2-methyl-1H-indol-3-yl)phenyl]methanamine?
[2,3-dimethoxy-5-(2-methyl-1H-indol-3-yl)phenyl]methanamine has a molecular weight of 296.37 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-dimethoxy-5-(2-methyl-1H-indol-3-yl)phenyl]methanamine is sourced from PubChem (CID 39225191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).