[3-[(3-methoxyphenoxy)methyl]-1-methylindol-7-yl]methanamine

C18H20N2O2 — CID 117181707

IUPAC[3-[(3-methoxyphenoxy)methyl]-1-methylindol-7-yl]methanamine
SMILESCOc1cccc(OCc2cn(C)c3c(CN)cccc23)c1
InChIInChI=1S/C18H20N2O2/c1-20-11-14(17-8-3-5-13(10-19)18(17)20)12-22-16-7-4-6-15(9-16)21-2/h3-9,11H,10,12,19H2,1-2H3
InChIKeyOHIKQUAQWOPJNE-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.22
Rot. Bonds5

About [3-[(3-methoxyphenoxy)methyl]-1-methylindol-7-yl]methanamine

[3-[(3-methoxyphenoxy)methyl]-1-methylindol-7-yl]methanamine (PubChem CID 117181707) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is [3-[(3-methoxyphenoxy)methyl]-1-methylindol-7-yl]methanamine.

Molecular Properties

Compound Name[3-[(3-methoxyphenoxy)methyl]-1-methylindol-7-yl]methanamine
PubChem CID117181707
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name[3-[(3-methoxyphenoxy)methyl]-1-methylindol-7-yl]methanamine
SMILESCOc1cccc(OCc2cn(C)c3c(CN)cccc23)c1
InChIInChI=1S/C18H20N2O2/c1-20-11-14(17-8-3-5-13(10-19)18(17)20)12-22-16-7-4-6-15(9-16)21-2/h3-9,11H,10,12,19H2,1-2H3
InChIKeyOHIKQUAQWOPJNE-UHFFFAOYSA-N
XLogP3.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(ethoxymethyl)-1-methylindol-7-yl]methanamine
CID 117181731
3-[(4-methoxyphenoxy)methyl]-1-methylindol-7-amine
CID 117181993
1-methyl-3-[(3-methylphenoxy)methyl]indol-7-ol
CID 117181915
3-[(3-methoxyphenoxy)methyl]-1-methylindole-6-carboxylic acid
CID 117178696
[2-[(3-methoxyphenoxy)methyl]-1-benzofuran-4-yl]methanamine
CID 117172174
[2-[(3-methoxyphenoxy)methyl]-1-benzothiophen-4-yl]methanamine
CID 117172724
[1-ethyl-3-[(4-fluorophenoxy)methyl]indol-7-yl]methanamine
CID 117182232
[1-methyl-3-(methylsulfonylmethyl)indol-7-yl]methanamine
CID 117181683
3-[(3-chlorophenoxy)methyl]-1-methylindole-7-carboxylic acid
CID 117182146
6-fluoro-3-[(3-methoxyphenoxy)methyl]-1-propan-2-ylindole
CID 117179005
2-[3-[(2-methoxyphenyl)methoxy]phenoxy]ethanamine
CID 58027581
1-[2-[(3-methoxyphenoxy)methyl]phenyl]-N-methylmethanamine
CID 62453866

Frequently Asked Questions

What is the IUPAC name of [3-[(3-methoxyphenoxy)methyl]-1-methylindol-7-yl]methanamine?
The IUPAC name of [3-[(3-methoxyphenoxy)methyl]-1-methylindol-7-yl]methanamine (CID 117181707) is [3-[(3-methoxyphenoxy)methyl]-1-methylindol-7-yl]methanamine.
What is the SMILES notation for [3-[(3-methoxyphenoxy)methyl]-1-methylindol-7-yl]methanamine?
The canonical SMILES for [3-[(3-methoxyphenoxy)methyl]-1-methylindol-7-yl]methanamine is COc1cccc(OCc2cn(C)c3c(CN)cccc23)c1.
What is the InChIKey of [3-[(3-methoxyphenoxy)methyl]-1-methylindol-7-yl]methanamine?
The InChIKey is OHIKQUAQWOPJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-20-11-14(17-8-3-5-13(10-19)18(17)20)12-22-16-7-4-6-15(9-16)21-2/h3-9,11H,10,12,19H2,1-2H3.
What are the key properties of [3-[(3-methoxyphenoxy)methyl]-1-methylindol-7-yl]methanamine?
[3-[(3-methoxyphenoxy)methyl]-1-methylindol-7-yl]methanamine has a molecular weight of 296.37 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-methoxyphenoxy)methyl]-1-methylindol-7-yl]methanamine is sourced from PubChem (CID 117181707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).