4-[[6-(aminomethyl)-1-methylindol-3-yl]methoxy]phenol

C17H18N2O2 — CID 117178289

IUPAC4-[[6-(aminomethyl)-1-methylindol-3-yl]methoxy]phenol
SMILESCn1cc(COc2ccc(O)cc2)c2ccc(CN)cc21
InChIInChI=1S/C17H18N2O2/c1-19-10-13(11-21-15-5-3-14(20)4-6-15)16-7-2-12(9-18)8-17(16)19/h2-8,10,20H,9,11,18H2,1H3
InChIKeyIWCYURHROFIWOK-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.92
Rot. Bonds4

About 4-[[6-(aminomethyl)-1-methylindol-3-yl]methoxy]phenol

4-[[6-(aminomethyl)-1-methylindol-3-yl]methoxy]phenol (PubChem CID 117178289) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-[[6-(aminomethyl)-1-methylindol-3-yl]methoxy]phenol.

Molecular Properties

Compound Name4-[[6-(aminomethyl)-1-methylindol-3-yl]methoxy]phenol
PubChem CID117178289
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name4-[[6-(aminomethyl)-1-methylindol-3-yl]methoxy]phenol
SMILESCn1cc(COc2ccc(O)cc2)c2ccc(CN)cc21
InChIInChI=1S/C17H18N2O2/c1-19-10-13(11-21-15-5-3-14(20)4-6-15)16-7-2-12(9-18)8-17(16)19/h2-8,10,20H,9,11,18H2,1H3
InChIKeyIWCYURHROFIWOK-UHFFFAOYSA-N
XLogP2.92
TPSA60.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-3-[(4-chlorophenoxy)methyl]-1-methylindole
CID 117178543
6-fluoro-1-methyl-3-[(4-methylphenoxy)methyl]indole
CID 117178524
1-methyl-3-[(4-methylphenoxy)methyl]indole-6-carboxylic acid
CID 117178698
6-fluoro-1-methyl-3-(phenoxymethyl)indole
CID 117178420
3-[(4-chlorophenoxy)methyl]-1-methylindole-6-carboxylic acid
CID 117178702
4-[[5-(aminomethyl)-1-benzofuran-3-yl]methoxy]phenol
CID 117174167
N-[[6-(aminomethyl)-1-methylindol-3-yl]methyl]cyclopentanamine
CID 117178236
4-[(6-fluoro-1-propan-2-ylindol-3-yl)methoxy]phenol
CID 117179041
[3-[(2-methoxyphenoxy)methyl]-1-methylindol-5-yl]methanamine
CID 117174896
7-(aminomethyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 142001167
1-ethyl-3-[(4-hydroxyphenoxy)methyl]indol-5-ol
CID 117175642
[3-(ethoxymethyl)-1-propan-2-ylindol-6-yl]methanamine
CID 117178798

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(aminomethyl)-1-methylindol-3-yl]methoxy]phenol?
The IUPAC name of 4-[[6-(aminomethyl)-1-methylindol-3-yl]methoxy]phenol (CID 117178289) is 4-[[6-(aminomethyl)-1-methylindol-3-yl]methoxy]phenol.
What is the SMILES notation for 4-[[6-(aminomethyl)-1-methylindol-3-yl]methoxy]phenol?
The canonical SMILES for 4-[[6-(aminomethyl)-1-methylindol-3-yl]methoxy]phenol is Cn1cc(COc2ccc(O)cc2)c2ccc(CN)cc21.
What is the InChIKey of 4-[[6-(aminomethyl)-1-methylindol-3-yl]methoxy]phenol?
The InChIKey is IWCYURHROFIWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-19-10-13(11-21-15-5-3-14(20)4-6-15)16-7-2-12(9-18)8-17(16)19/h2-8,10,20H,9,11,18H2,1H3.
What are the key properties of 4-[[6-(aminomethyl)-1-methylindol-3-yl]methoxy]phenol?
4-[[6-(aminomethyl)-1-methylindol-3-yl]methoxy]phenol has a molecular weight of 282.34 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(aminomethyl)-1-methylindol-3-yl]methoxy]phenol is sourced from PubChem (CID 117178289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).