3-(phenoxymethyl)-1H-indol-7-amine

C15H14N2O — CID 117181852

IUPAC3-(phenoxymethyl)-1H-indol-7-amine
SMILESNc1cccc2c(COc3ccccc3)c[nH]c12
InChIInChI=1S/C15H14N2O/c16-14-8-4-7-13-11(9-17-15(13)14)10-18-12-5-2-1-3-6-12/h1-9,17H,10,16H2
InChIKeyBXTHETCGJSLLNE-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.33
Rot. Bonds3

About 3-(phenoxymethyl)-1H-indol-7-amine

3-(phenoxymethyl)-1H-indol-7-amine (PubChem CID 117181852) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-(phenoxymethyl)-1H-indol-7-amine.

Molecular Properties

Compound Name3-(phenoxymethyl)-1H-indol-7-amine
PubChem CID117181852
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name3-(phenoxymethyl)-1H-indol-7-amine
SMILESNc1cccc2c(COc3ccccc3)c[nH]c12
InChIInChI=1S/C15H14N2O/c16-14-8-4-7-13-11(9-17-15(13)14)10-18-12-5-2-1-3-6-12/h1-9,17H,10,16H2
InChIKeyBXTHETCGJSLLNE-UHFFFAOYSA-N
XLogP3.33
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(pyridin-3-yloxymethyl)-1H-indol-7-amine
CID 117182000
3-[(3-hydroxyphenoxy)methyl]-1H-indol-7-ol
CID 117181938
4-[[7-(aminomethyl)-1H-indol-3-yl]methoxy]phenol
CID 117181714
7-methyl-3-[(4-methylphenoxy)methyl]-1H-indole
CID 117186236
3-[(4-fluorophenoxy)methyl]-7-methyl-1H-indole
CID 117186238
3-[[7-(aminomethyl)-1H-indol-3-yl]methoxy]phenol
CID 117181704
3-(phenoxymethyl)-1-benzofuran-7-amine
CID 117181023
7-bromo-3-[(4-methylphenoxy)methyl]-1H-indole
CID 117181960
3-[(7-bromo-1H-indol-3-yl)methoxy]phenol
CID 117181944
7-fluoro-3-[[4-(trifluoromethyl)phenoxy]methyl]-1H-indole
CID 117181955
7-fluoro-3-(pyridin-3-yloxymethyl)-1H-indole
CID 117182002
1-(phenoxymethyl)naphthalene
CID 588110

Frequently Asked Questions

What is the IUPAC name of 3-(phenoxymethyl)-1H-indol-7-amine?
The IUPAC name of 3-(phenoxymethyl)-1H-indol-7-amine (CID 117181852) is 3-(phenoxymethyl)-1H-indol-7-amine.
What is the SMILES notation for 3-(phenoxymethyl)-1H-indol-7-amine?
The canonical SMILES for 3-(phenoxymethyl)-1H-indol-7-amine is Nc1cccc2c(COc3ccccc3)c[nH]c12.
What is the InChIKey of 3-(phenoxymethyl)-1H-indol-7-amine?
The InChIKey is BXTHETCGJSLLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c16-14-8-4-7-13-11(9-17-15(13)14)10-18-12-5-2-1-3-6-12/h1-9,17H,10,16H2.
What are the key properties of 3-(phenoxymethyl)-1H-indol-7-amine?
3-(phenoxymethyl)-1H-indol-7-amine has a molecular weight of 238.29 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenoxymethyl)-1H-indol-7-amine is sourced from PubChem (CID 117181852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).