3-[[7-(aminomethyl)-1H-indol-3-yl]methoxy]phenol

C16H16N2O2 — CID 117181704

IUPAC3-[[7-(aminomethyl)-1H-indol-3-yl]methoxy]phenol
SMILESNCc1cccc2c(COc3cccc(O)c3)c[nH]c12
InChIInChI=1S/C16H16N2O2/c17-8-11-3-1-6-15-12(9-18-16(11)15)10-20-14-5-2-4-13(19)7-14/h1-7,9,18-19H,8,10,17H2
InChIKeyQVKMONNAZLFYGR-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.91
Rot. Bonds4

About 3-[[7-(aminomethyl)-1H-indol-3-yl]methoxy]phenol

3-[[7-(aminomethyl)-1H-indol-3-yl]methoxy]phenol (PubChem CID 117181704) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-[[7-(aminomethyl)-1H-indol-3-yl]methoxy]phenol.

Molecular Properties

Compound Name3-[[7-(aminomethyl)-1H-indol-3-yl]methoxy]phenol
PubChem CID117181704
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name3-[[7-(aminomethyl)-1H-indol-3-yl]methoxy]phenol
SMILESNCc1cccc2c(COc3cccc(O)c3)c[nH]c12
InChIInChI=1S/C16H16N2O2/c17-8-11-3-1-6-15-12(9-18-16(11)15)10-20-14-5-2-4-13(19)7-14/h1-7,9,18-19H,8,10,17H2
InChIKeyQVKMONNAZLFYGR-UHFFFAOYSA-N
XLogP2.91
TPSA71.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-hydroxyphenoxy)methyl]-1H-indol-7-ol
CID 117181938
4-[[7-(aminomethyl)-1H-indol-3-yl]methoxy]phenol
CID 117181714
3-[(7-bromo-1H-indol-3-yl)methoxy]phenol
CID 117181944
3-[[5-(aminomethyl)-1H-indol-3-yl]methoxy]phenol
CID 117174903
3-[(5-fluoro-1H-indol-3-yl)methoxy]phenol
CID 117175120
3-(phenoxymethyl)-1H-indol-7-amine
CID 117181852
3-[(2-amino-3-pyridinyl)methoxy]phenol
CID 105469612
3-[[4-(aminomethyl)-1-benzofuran-2-yl]methoxy]phenol
CID 117172173
3-[(2,3-difluorophenyl)methoxy]phenol
CID 43659030
3-[(3-chlorophenoxy)methyl]-1H-indole-7-carboxylic acid
CID 117182144
[3-(methylaminomethyl)-1H-indol-7-yl]methanamine
CID 117181665
3-[[7-(aminomethyl)-1,1-dioxo-1-benzothiophen-3-yl]methoxy]phenol
CID 117181212

Frequently Asked Questions

What is the IUPAC name of 3-[[7-(aminomethyl)-1H-indol-3-yl]methoxy]phenol?
The IUPAC name of 3-[[7-(aminomethyl)-1H-indol-3-yl]methoxy]phenol (CID 117181704) is 3-[[7-(aminomethyl)-1H-indol-3-yl]methoxy]phenol.
What is the SMILES notation for 3-[[7-(aminomethyl)-1H-indol-3-yl]methoxy]phenol?
The canonical SMILES for 3-[[7-(aminomethyl)-1H-indol-3-yl]methoxy]phenol is NCc1cccc2c(COc3cccc(O)c3)c[nH]c12.
What is the InChIKey of 3-[[7-(aminomethyl)-1H-indol-3-yl]methoxy]phenol?
The InChIKey is QVKMONNAZLFYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c17-8-11-3-1-6-15-12(9-18-16(11)15)10-20-14-5-2-4-13(19)7-14/h1-7,9,18-19H,8,10,17H2.
What are the key properties of 3-[[7-(aminomethyl)-1H-indol-3-yl]methoxy]phenol?
3-[[7-(aminomethyl)-1H-indol-3-yl]methoxy]phenol has a molecular weight of 268.32 g/mol, XLogP of 2.91, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[7-(aminomethyl)-1H-indol-3-yl]methoxy]phenol is sourced from PubChem (CID 117181704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).