1-(1-ethyl-7-methoxyindol-3-yl)-N-methylpropan-2-amine

C15H22N2O — CID 117197951

IUPAC1-(1-ethyl-7-methoxyindol-3-yl)-N-methylpropan-2-amine
SMILESCCn1cc(CC(C)NC)c2cccc(OC)c21
InChIInChI=1S/C15H22N2O/c1-5-17-10-12(9-11(2)16-3)13-7-6-8-14(18-4)15(13)17/h6-8,10-11,16H,5,9H2,1-4H3
InChIKeyBQEDTVDZWXFKCV-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.82
Rot. Bonds5

About 1-(1-ethyl-7-methoxyindol-3-yl)-N-methylpropan-2-amine

1-(1-ethyl-7-methoxyindol-3-yl)-N-methylpropan-2-amine (PubChem CID 117197951) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(1-ethyl-7-methoxyindol-3-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(1-ethyl-7-methoxyindol-3-yl)-N-methylpropan-2-amine
PubChem CID117197951
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-(1-ethyl-7-methoxyindol-3-yl)-N-methylpropan-2-amine
SMILESCCn1cc(CC(C)NC)c2cccc(OC)c21
InChIInChI=1S/C15H22N2O/c1-5-17-10-12(9-11(2)16-3)13-7-6-8-14(18-4)15(13)17/h6-8,10-11,16H,5,9H2,1-4H3
InChIKeyBQEDTVDZWXFKCV-UHFFFAOYSA-N
XLogP2.82
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-ethyl-7-methoxyindol-3-yl)propan-1-amine
CID 117197959
1-(1-ethyl-7-methoxyindol-3-yl)ethanol
CID 117197918
2-(1-ethyl-7-methoxyindol-3-yl)propan-2-ol
CID 117197919
1-(2-bromo-3-methoxyphenyl)-N-methylpropan-2-amine
CID 84738148
2-methoxy-6-[2-(methylamino)propyl]phenol
CID 68884486
1-(5-fluoro-2-methoxyphenyl)-N-methylpropan-2-amine
CID 84733466
1-(1-ethyl-6-methylindol-3-yl)-N-methylpropan-2-amine
CID 117196204
3-ethyl-7-methoxy-1-(3-methoxypropyl)indole
CID 59494067
1-(1-ethyl-5-methylindol-3-yl)-N-methylpropan-2-amine
CID 117195502
1-(7-methoxy-1-methylindol-3-yl)-N-methylethanamine
CID 83860032
1-(7-methoxy-1-methylindol-3-yl)-N-methylmethanamine
CID 22139134
1-[2-(2-methoxyphenyl)sulfanylphenyl]-N-methylpropan-2-amine
CID 3075829

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-7-methoxyindol-3-yl)-N-methylpropan-2-amine?
The IUPAC name of 1-(1-ethyl-7-methoxyindol-3-yl)-N-methylpropan-2-amine (CID 117197951) is 1-(1-ethyl-7-methoxyindol-3-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(1-ethyl-7-methoxyindol-3-yl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(1-ethyl-7-methoxyindol-3-yl)-N-methylpropan-2-amine is CCn1cc(CC(C)NC)c2cccc(OC)c21.
What is the InChIKey of 1-(1-ethyl-7-methoxyindol-3-yl)-N-methylpropan-2-amine?
The InChIKey is BQEDTVDZWXFKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-5-17-10-12(9-11(2)16-3)13-7-6-8-14(18-4)15(13)17/h6-8,10-11,16H,5,9H2,1-4H3.
What are the key properties of 1-(1-ethyl-7-methoxyindol-3-yl)-N-methylpropan-2-amine?
1-(1-ethyl-7-methoxyindol-3-yl)-N-methylpropan-2-amine has a molecular weight of 246.35 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-7-methoxyindol-3-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 117197951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).