[1-ethyl-3-[(2-methylphenoxy)methyl]indol-7-yl]methanamine

C19H22N2O — CID 117182214

IUPAC[1-ethyl-3-[(2-methylphenoxy)methyl]indol-7-yl]methanamine
SMILESCCn1cc(COc2ccccc2C)c2cccc(CN)c21
InChIInChI=1S/C19H22N2O/c1-3-21-12-16(13-22-18-10-5-4-7-14(18)2)17-9-6-8-15(11-20)19(17)21/h4-10,12H,3,11,13,20H2,1-2H3
InChIKeyXIJCRDLHQUWFJU-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.01
Rot. Bonds5

About [1-ethyl-3-[(2-methylphenoxy)methyl]indol-7-yl]methanamine

[1-ethyl-3-[(2-methylphenoxy)methyl]indol-7-yl]methanamine (PubChem CID 117182214) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is [1-ethyl-3-[(2-methylphenoxy)methyl]indol-7-yl]methanamine.

Molecular Properties

Compound Name[1-ethyl-3-[(2-methylphenoxy)methyl]indol-7-yl]methanamine
PubChem CID117182214
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name[1-ethyl-3-[(2-methylphenoxy)methyl]indol-7-yl]methanamine
SMILESCCn1cc(COc2ccccc2C)c2cccc(CN)c21
InChIInChI=1S/C19H22N2O/c1-3-21-12-16(13-22-18-10-5-4-7-14(18)2)17-9-6-8-15(11-20)19(17)21/h4-10,12H,3,11,13,20H2,1-2H3
InChIKeyXIJCRDLHQUWFJU-UHFFFAOYSA-N
XLogP4.01
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-ethyl-3-[(4-fluorophenoxy)methyl]indol-7-yl]methanamine
CID 117182232
1-ethyl-3-[(2-methylphenoxy)methyl]indol-6-ol
CID 117178934
3-[(4-chlorophenoxy)methyl]-1-ethyl-7-methylindole
CID 117186319
(1-ethyl-7-fluoroindol-3-yl)methanamine
CID 117182293
3-(1-ethyl-7-methylindol-3-yl)propan-1-amine
CID 117197455
[3-(ethoxymethyl)-1-methylindol-7-yl]methanamine
CID 117181731
2-[(2-methylphenoxy)methyl]aniline
CID 21191823
1-ethyl-3-[(4-hydroxyphenoxy)methyl]indol-7-ol
CID 117182492
[4-fluoro-2-[(2-methylphenoxy)methyl]phenyl]methanamine
CID 64763729
[3-[(3-methoxyphenoxy)methyl]-1-methylindol-7-yl]methanamine
CID 117181707
1-ethyl-3-[(2-fluorophenoxy)methyl]-4-methylindole
CID 117184639
3-(1-ethyl-7-methoxyindol-3-yl)propan-1-amine
CID 117197959

Frequently Asked Questions

What is the IUPAC name of [1-ethyl-3-[(2-methylphenoxy)methyl]indol-7-yl]methanamine?
The IUPAC name of [1-ethyl-3-[(2-methylphenoxy)methyl]indol-7-yl]methanamine (CID 117182214) is [1-ethyl-3-[(2-methylphenoxy)methyl]indol-7-yl]methanamine.
What is the SMILES notation for [1-ethyl-3-[(2-methylphenoxy)methyl]indol-7-yl]methanamine?
The canonical SMILES for [1-ethyl-3-[(2-methylphenoxy)methyl]indol-7-yl]methanamine is CCn1cc(COc2ccccc2C)c2cccc(CN)c21.
What is the InChIKey of [1-ethyl-3-[(2-methylphenoxy)methyl]indol-7-yl]methanamine?
The InChIKey is XIJCRDLHQUWFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-3-21-12-16(13-22-18-10-5-4-7-14(18)2)17-9-6-8-15(11-20)19(17)21/h4-10,12H,3,11,13,20H2,1-2H3.
What are the key properties of [1-ethyl-3-[(2-methylphenoxy)methyl]indol-7-yl]methanamine?
[1-ethyl-3-[(2-methylphenoxy)methyl]indol-7-yl]methanamine has a molecular weight of 294.40 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-3-[(2-methylphenoxy)methyl]indol-7-yl]methanamine is sourced from PubChem (CID 117182214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).