methyl 2-[1-(2-aminoethyl)-5-methoxyindol-3-yl]acetate

C14H18N2O3 — CID 83948380

IUPACmethyl 2-[1-(2-aminoethyl)-5-methoxyindol-3-yl]acetate
SMILESCOC(=O)Cc1cn(CCN)c2ccc(OC)cc12
InChIInChI=1S/C14H18N2O3/c1-18-11-3-4-13-12(8-11)10(7-14(17)19-2)9-16(13)6-5-15/h3-4,8-9H,5-7,15H2,1-2H3
InChIKeyWAWPJWLREAHUJQ-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.32
Rot. Bonds5

About methyl 2-[1-(2-aminoethyl)-5-methoxyindol-3-yl]acetate

methyl 2-[1-(2-aminoethyl)-5-methoxyindol-3-yl]acetate (PubChem CID 83948380) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is methyl 2-[1-(2-aminoethyl)-5-methoxyindol-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(2-aminoethyl)-5-methoxyindol-3-yl]acetate
PubChem CID83948380
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Namemethyl 2-[1-(2-aminoethyl)-5-methoxyindol-3-yl]acetate
SMILESCOC(=O)Cc1cn(CCN)c2ccc(OC)cc12
InChIInChI=1S/C14H18N2O3/c1-18-11-3-4-13-12(8-11)10(7-14(17)19-2)9-16(13)6-5-15/h3-4,8-9H,5-7,15H2,1-2H3
InChIKeyWAWPJWLREAHUJQ-UHFFFAOYSA-N
XLogP1.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[1-(3-hydroxypropyl)-5-methoxyindol-3-yl]acetate
CID 83944534
methyl 2-(1-benzyl-5-methoxyindol-3-yl)acetate
CID 10859841
2-[1-(2-aminoethyl)-6-methoxyindol-3-yl]acetic acid
CID 83945216
methyl 2-[6-(2-aminoethyl)-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl]acetate
CID 83948430
benzyl 2-(1-benzyl-5-methoxyindol-3-yl)acetate
CID 10667803
methyl 2-[1-(2-hydroxyethyl)-5-propan-2-ylindol-3-yl]acetate
CID 83944998
methyl 2-[5-bromo-1-(3-hydroxypropyl)indol-3-yl]acetate
CID 83946749
2-[3-(2-aminoethyl)-6-methoxyindol-1-yl]ethanol
CID 83945184
4-(3-acetyl-5-methoxyindol-1-yl)butan-2-one
CID 117098652
N-[2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]ethyl]propanamide
CID 10926166
2-[3-(2-aminoethyl)-6-methoxyindol-1-yl]acetic acid
CID 83945193
N-[1-[5-methoxy-1-(2-phenylethyl)indol-3-yl]propan-2-yl]propanamide
CID 10248227

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2-aminoethyl)-5-methoxyindol-3-yl]acetate?
The IUPAC name of methyl 2-[1-(2-aminoethyl)-5-methoxyindol-3-yl]acetate (CID 83948380) is methyl 2-[1-(2-aminoethyl)-5-methoxyindol-3-yl]acetate.
What is the SMILES notation for methyl 2-[1-(2-aminoethyl)-5-methoxyindol-3-yl]acetate?
The canonical SMILES for methyl 2-[1-(2-aminoethyl)-5-methoxyindol-3-yl]acetate is COC(=O)Cc1cn(CCN)c2ccc(OC)cc12.
What is the InChIKey of methyl 2-[1-(2-aminoethyl)-5-methoxyindol-3-yl]acetate?
The InChIKey is WAWPJWLREAHUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-18-11-3-4-13-12(8-11)10(7-14(17)19-2)9-16(13)6-5-15/h3-4,8-9H,5-7,15H2,1-2H3.
What are the key properties of methyl 2-[1-(2-aminoethyl)-5-methoxyindol-3-yl]acetate?
methyl 2-[1-(2-aminoethyl)-5-methoxyindol-3-yl]acetate has a molecular weight of 262.31 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2-aminoethyl)-5-methoxyindol-3-yl]acetate is sourced from PubChem (CID 83948380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).