2-[[6-(aminomethyl)-1H-indol-2-yl]methoxy]phenol

C16H16N2O2 — CID 117179968

IUPAC2-[[6-(aminomethyl)-1H-indol-2-yl]methoxy]phenol
SMILESNCc1ccc2cc(COc3ccccc3O)[nH]c2c1
InChIInChI=1S/C16H16N2O2/c17-9-11-5-6-12-8-13(18-14(12)7-11)10-20-16-4-2-1-3-15(16)19/h1-8,18-19H,9-10,17H2
InChIKeyGGKIVZNTRBTOPL-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.91
Rot. Bonds4

About 2-[[6-(aminomethyl)-1H-indol-2-yl]methoxy]phenol

2-[[6-(aminomethyl)-1H-indol-2-yl]methoxy]phenol (PubChem CID 117179968) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[[6-(aminomethyl)-1H-indol-2-yl]methoxy]phenol.

Molecular Properties

Compound Name2-[[6-(aminomethyl)-1H-indol-2-yl]methoxy]phenol
PubChem CID117179968
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name2-[[6-(aminomethyl)-1H-indol-2-yl]methoxy]phenol
SMILESNCc1ccc2cc(COc3ccccc3O)[nH]c2c1
InChIInChI=1S/C16H16N2O2/c17-9-11-5-6-12-8-13(18-14(12)7-11)10-20-16-4-2-1-3-15(16)19/h1-8,18-19H,9-10,17H2
InChIKeyGGKIVZNTRBTOPL-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

2-[(6-fluoro-1H-indol-2-yl)methoxy]phenol
CID 117180167
2-[[4-(aminomethyl)phenyl]methoxy]phenol
CID 105486618
2-[(2-fluorophenoxy)methyl]-1H-indol-6-ol
CID 117180148
2-[(2-fluorophenoxy)methyl]-6-methyl-1H-indole
CID 117185935
2-[(3-hydroxyphenoxy)methyl]-1H-indol-6-ol
CID 117180212
2-[(4-fluorophenyl)methoxy]phenol
CID 43143460
2-[[2-(trifluoromethyl)phenoxy]methyl]-1H-indole
CID 117173198
[2-(morpholin-4-ylmethyl)-1H-indol-6-yl]methanamine
CID 117179949
1H-indol-2-ylmethyl 2-aminoacetate
CID 67228624
2-[(3-amino-4-fluorophenyl)methoxy]phenol
CID 105492351
2-[(3-hydroxyphenoxy)methyl]-1H-indole-6-carboxylic acid
CID 117180415
5-chloro-2-[(2-fluorophenoxy)methyl]-1H-indole
CID 117176713

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(aminomethyl)-1H-indol-2-yl]methoxy]phenol?
The IUPAC name of 2-[[6-(aminomethyl)-1H-indol-2-yl]methoxy]phenol (CID 117179968) is 2-[[6-(aminomethyl)-1H-indol-2-yl]methoxy]phenol.
What is the SMILES notation for 2-[[6-(aminomethyl)-1H-indol-2-yl]methoxy]phenol?
The canonical SMILES for 2-[[6-(aminomethyl)-1H-indol-2-yl]methoxy]phenol is NCc1ccc2cc(COc3ccccc3O)[nH]c2c1.
What is the InChIKey of 2-[[6-(aminomethyl)-1H-indol-2-yl]methoxy]phenol?
The InChIKey is GGKIVZNTRBTOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c17-9-11-5-6-12-8-13(18-14(12)7-11)10-20-16-4-2-1-3-15(16)19/h1-8,18-19H,9-10,17H2.
What are the key properties of 2-[[6-(aminomethyl)-1H-indol-2-yl]methoxy]phenol?
2-[[6-(aminomethyl)-1H-indol-2-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 2-[[6-(aminomethyl)-1H-indol-2-yl]methoxy]phenol is sourced from PubChem (CID 117179968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).