[1-ethyl-2-(phenoxymethyl)indol-6-yl]methanamine

C18H20N2O — CID 117180480

IUPAC[1-ethyl-2-(phenoxymethyl)indol-6-yl]methanamine
SMILESCCn1c(COc2ccccc2)cc2ccc(CN)cc21
InChIInChI=1S/C18H20N2O/c1-2-20-16(13-21-17-6-4-3-5-7-17)11-15-9-8-14(12-19)10-18(15)20/h3-11H,2,12-13,19H2,1H3
InChIKeyMBWFBZWJFDBSNH-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.70
Rot. Bonds5

About [1-ethyl-2-(phenoxymethyl)indol-6-yl]methanamine

[1-ethyl-2-(phenoxymethyl)indol-6-yl]methanamine (PubChem CID 117180480) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is [1-ethyl-2-(phenoxymethyl)indol-6-yl]methanamine.

Molecular Properties

Compound Name[1-ethyl-2-(phenoxymethyl)indol-6-yl]methanamine
PubChem CID117180480
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name[1-ethyl-2-(phenoxymethyl)indol-6-yl]methanamine
SMILESCCn1c(COc2ccccc2)cc2ccc(CN)cc21
InChIInChI=1S/C18H20N2O/c1-2-20-16(13-21-17-6-4-3-5-7-17)11-15-9-8-14(12-19)10-18(15)20/h3-11H,2,12-13,19H2,1H3
InChIKeyMBWFBZWJFDBSNH-UHFFFAOYSA-N
XLogP3.70
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-ethyl-2-[(4-fluorophenoxy)methyl]indol-6-yl]methanamine
CID 117180500
1-ethyl-2-(phenoxymethyl)indole-6-carboxylic acid
CID 117180897
[1-ethyl-2-[(4-fluorophenoxy)methyl]indol-5-yl]methanamine
CID 117177052
1-ethyl-5-fluoro-2-(phenoxymethyl)indole
CID 117177203
5-chloro-1-ethyl-2-(phenoxymethyl)indole
CID 117177204
2-[(4-chlorophenoxy)methyl]-1-ethylindole
CID 117173925
1-ethyl-4-fluoro-2-(phenoxymethyl)indole
CID 117173811
1-ethyl-2-[(3-methylphenoxy)methyl]indole
CID 117173866
4-[(6-chloro-1-ethylindol-2-yl)methoxy]phenol
CID 117180760
2-[(3-chlorophenoxy)methyl]-1-ethyl-6-fluoroindole
CID 117180708
1-ethyl-6-fluoro-2-[(2-methoxyphenoxy)methyl]indole
CID 117180685
[2-[(2-chlorophenoxy)methyl]-1-methylindol-6-yl]methanamine
CID 117179967

Frequently Asked Questions

What is the IUPAC name of [1-ethyl-2-(phenoxymethyl)indol-6-yl]methanamine?
The IUPAC name of [1-ethyl-2-(phenoxymethyl)indol-6-yl]methanamine (CID 117180480) is [1-ethyl-2-(phenoxymethyl)indol-6-yl]methanamine.
What is the SMILES notation for [1-ethyl-2-(phenoxymethyl)indol-6-yl]methanamine?
The canonical SMILES for [1-ethyl-2-(phenoxymethyl)indol-6-yl]methanamine is CCn1c(COc2ccccc2)cc2ccc(CN)cc21.
What is the InChIKey of [1-ethyl-2-(phenoxymethyl)indol-6-yl]methanamine?
The InChIKey is MBWFBZWJFDBSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-2-20-16(13-21-17-6-4-3-5-7-17)11-15-9-8-14(12-19)10-18(15)20/h3-11H,2,12-13,19H2,1H3.
What are the key properties of [1-ethyl-2-(phenoxymethyl)indol-6-yl]methanamine?
[1-ethyl-2-(phenoxymethyl)indol-6-yl]methanamine has a molecular weight of 280.37 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-2-(phenoxymethyl)indol-6-yl]methanamine is sourced from PubChem (CID 117180480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).