1-ethyl-3-(phenoxymethyl)indol-4-amine

C17H18N2O — CID 117171827

IUPAC1-ethyl-3-(phenoxymethyl)indol-4-amine
SMILESCCn1cc(COc2ccccc2)c2c(N)cccc21
InChIInChI=1S/C17H18N2O/c1-2-19-11-13(12-20-14-7-4-3-5-8-14)17-15(18)9-6-10-16(17)19/h3-11H,2,12,18H2,1H3
InChIKeyYSAWOZCVAJSZLF-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.82
Rot. Bonds4

About 1-ethyl-3-(phenoxymethyl)indol-4-amine

1-ethyl-3-(phenoxymethyl)indol-4-amine (PubChem CID 117171827) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-ethyl-3-(phenoxymethyl)indol-4-amine.

Molecular Properties

Compound Name1-ethyl-3-(phenoxymethyl)indol-4-amine
PubChem CID117171827
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name1-ethyl-3-(phenoxymethyl)indol-4-amine
SMILESCCn1cc(COc2ccccc2)c2c(N)cccc21
InChIInChI=1S/C17H18N2O/c1-2-19-11-13(12-20-14-7-4-3-5-8-14)17-15(18)9-6-10-16(17)19/h3-11H,2,12,18H2,1H3
InChIKeyYSAWOZCVAJSZLF-UHFFFAOYSA-N
XLogP3.82
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(ethoxymethyl)-1-ethylindol-4-amine
CID 117171998
1-ethyl-3-[(3-hydroxyphenoxy)methyl]indol-4-ol
CID 117171916
[1-ethyl-3-[(4-fluorophenoxy)methyl]indol-4-yl]methanamine
CID 117171659
1-ethyl-4-fluoro-3-[(3-methoxyphenoxy)methyl]indole
CID 117171919
3-[(3-chlorophenoxy)methyl]-1-ethyl-4-fluoroindole
CID 117171901
3-[(1-ethyl-4-methylindol-3-yl)methoxy]phenol
CID 117184653
1-ethyl-5-methyl-3-(phenoxymethyl)indole
CID 117185186
1-ethyl-3-[(2-fluorophenoxy)methyl]-4-methylindole
CID 117184639
3-[(3-fluorophenoxy)methyl]-1-methylindol-4-amine
CID 117171340
3-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine
CID 117171842
[3-(ethoxymethyl)-1-ethylindol-4-yl]methanamine
CID 117171670
3-[(2-fluorophenoxy)methyl]-1-methylindol-4-amine
CID 117171279

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(phenoxymethyl)indol-4-amine?
The IUPAC name of 1-ethyl-3-(phenoxymethyl)indol-4-amine (CID 117171827) is 1-ethyl-3-(phenoxymethyl)indol-4-amine.
What is the SMILES notation for 1-ethyl-3-(phenoxymethyl)indol-4-amine?
The canonical SMILES for 1-ethyl-3-(phenoxymethyl)indol-4-amine is CCn1cc(COc2ccccc2)c2c(N)cccc21.
What is the InChIKey of 1-ethyl-3-(phenoxymethyl)indol-4-amine?
The InChIKey is YSAWOZCVAJSZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-2-19-11-13(12-20-14-7-4-3-5-8-14)17-15(18)9-6-10-16(17)19/h3-11H,2,12,18H2,1H3.
What are the key properties of 1-ethyl-3-(phenoxymethyl)indol-4-amine?
1-ethyl-3-(phenoxymethyl)indol-4-amine has a molecular weight of 266.34 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(phenoxymethyl)indol-4-amine is sourced from PubChem (CID 117171827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).