[3-(ethoxymethyl)-1-methylindol-7-yl]methanamine

C13H18N2O — CID 117181731

IUPAC[3-(ethoxymethyl)-1-methylindol-7-yl]methanamine
SMILESCCOCc1cn(C)c2c(CN)cccc12
InChIInChI=1S/C13H18N2O/c1-3-16-9-11-8-15(2)13-10(7-14)5-4-6-12(11)13/h4-6,8H,3,7,9,14H2,1-2H3
InChIKeyGEYHRNMBGSWHQU-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.17
Rot. Bonds4

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

[3-(ethoxymethyl)-1-methylindol-7-yl]methanamine (PubChem CID 117181731) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is [3-(ethoxymethyl)-1-methylindol-7-yl]methanamine.

Molecular Properties

Compound Name[3-(ethoxymethyl)-1-methylindol-7-yl]methanamine
PubChem CID117181731
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name[3-(ethoxymethyl)-1-methylindol-7-yl]methanamine
SMILESCCOCc1cn(C)c2c(CN)cccc12
InChIInChI=1S/C13H18N2O/c1-3-16-9-11-8-15(2)13-10(7-14)5-4-6-12(11)13/h4-6,8H,3,7,9,14H2,1-2H3
InChIKeyGEYHRNMBGSWHQU-UHFFFAOYSA-N
XLogP2.17
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(3-methoxyphenoxy)methyl]-1-methylindol-7-yl]methanamine
CID 117181707
[1-methyl-3-(methylsulfonylmethyl)indol-7-yl]methanamine
CID 117181683
N-[[7-(aminomethyl)-1-methylindol-3-yl]methyl]cyclopropanamine
CID 117181659
7-bromo-3-(ethoxymethyl)-1-propan-2-ylindole
CID 117182588
(2R)-4-(7-ethyl-1-methylindol-3-yl)butan-2-amine
CID 96673085
(1-methyl-3-nitroindol-7-yl)methanamine
CID 83882353
[3-(ethoxymethyl)-1-ethylindol-4-yl]methanamine
CID 117171670
2-(7-ethyl-1-methylindol-3-yl)acetamide
CID 82493072
[1-ethyl-3-[(4-fluorophenoxy)methyl]indol-7-yl]methanamine
CID 117182232
[1-ethyl-3-[(2-methylphenoxy)methyl]indol-7-yl]methanamine
CID 117182214
O-[(3-chloro-1-methylindol-7-yl)methyl]hydroxylamine
CID 117300853
2-(7-ethyl-1-methylindol-3-yl)-3-methylbutan-1-amine
CID 82497776

Frequently Asked Questions

What is the IUPAC name of [3-(ethoxymethyl)-1-methylindol-7-yl]methanamine?
The IUPAC name of [3-(ethoxymethyl)-1-methylindol-7-yl]methanamine (CID 117181731) is [3-(ethoxymethyl)-1-methylindol-7-yl]methanamine.
What is the SMILES notation for [3-(ethoxymethyl)-1-methylindol-7-yl]methanamine?
The canonical SMILES for [3-(ethoxymethyl)-1-methylindol-7-yl]methanamine is CCOCc1cn(C)c2c(CN)cccc12.
What is the InChIKey of [3-(ethoxymethyl)-1-methylindol-7-yl]methanamine?
The InChIKey is GEYHRNMBGSWHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-3-16-9-11-8-15(2)13-10(7-14)5-4-6-12(11)13/h4-6,8H,3,7,9,14H2,1-2H3.
What are the key properties of [3-(ethoxymethyl)-1-methylindol-7-yl]methanamine?
[3-(ethoxymethyl)-1-methylindol-7-yl]methanamine has a molecular weight of 218.30 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(ethoxymethyl)-1-methylindol-7-yl]methanamine is sourced from PubChem (CID 117181731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).