3-(4-methoxyindol-1-yl)-2-methylpropan-1-amine

C13H18N2O — CID 83163240

IUPAC3-(4-methoxyindol-1-yl)-2-methylpropan-1-amine
SMILESCOc1cccc2c1ccn2CC(C)CN
InChIInChI=1S/C13H18N2O/c1-10(8-14)9-15-7-6-11-12(15)4-3-5-13(11)16-2/h3-7,10H,8-9,14H2,1-2H3
InChIKeyKXQRJIHRLACRDG-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.24
Rot. Bonds4

About 3-(4-methoxyindol-1-yl)-2-methylpropan-1-amine

3-(4-methoxyindol-1-yl)-2-methylpropan-1-amine (PubChem CID 83163240) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-(4-methoxyindol-1-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(4-methoxyindol-1-yl)-2-methylpropan-1-amine
PubChem CID83163240
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-(4-methoxyindol-1-yl)-2-methylpropan-1-amine
SMILESCOc1cccc2c1ccn2CC(C)CN
InChIInChI=1S/C13H18N2O/c1-10(8-14)9-15-7-6-11-12(15)4-3-5-13(11)16-2/h3-7,10H,8-9,14H2,1-2H3
InChIKeyKXQRJIHRLACRDG-UHFFFAOYSA-N
XLogP2.24
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyindol-1-yl)-2-methylpropan-1-amine?
The IUPAC name of 3-(4-methoxyindol-1-yl)-2-methylpropan-1-amine (CID 83163240) is 3-(4-methoxyindol-1-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(4-methoxyindol-1-yl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(4-methoxyindol-1-yl)-2-methylpropan-1-amine is COc1cccc2c1ccn2CC(C)CN.
What is the InChIKey of 3-(4-methoxyindol-1-yl)-2-methylpropan-1-amine?
The InChIKey is KXQRJIHRLACRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10(8-14)9-15-7-6-11-12(15)4-3-5-13(11)16-2/h3-7,10H,8-9,14H2,1-2H3.
What are the key properties of 3-(4-methoxyindol-1-yl)-2-methylpropan-1-amine?
3-(4-methoxyindol-1-yl)-2-methylpropan-1-amine has a molecular weight of 218.30 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyindol-1-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 83163240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).