2-(4,7-dimethoxy-1H-indol-3-yl)-2-methylpropan-1-amine

C14H20N2O2 — CID 82498773

IUPAC2-(4,7-dimethoxy-1H-indol-3-yl)-2-methylpropan-1-amine
SMILESCOc1ccc(OC)c2c(C(C)(C)CN)c[nH]c12
InChIInChI=1S/C14H20N2O2/c1-14(2,8-15)9-7-16-13-11(18-4)6-5-10(17-3)12(9)13/h5-7,16H,8,15H2,1-4H3
InChIKeyGYVPMHWUSPOOJF-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.42
Rot. Bonds4

About 2-(4,7-dimethoxy-1H-indol-3-yl)-2-methylpropan-1-amine

2-(4,7-dimethoxy-1H-indol-3-yl)-2-methylpropan-1-amine (PubChem CID 82498773) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(4,7-dimethoxy-1H-indol-3-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(4,7-dimethoxy-1H-indol-3-yl)-2-methylpropan-1-amine
PubChem CID82498773
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(4,7-dimethoxy-1H-indol-3-yl)-2-methylpropan-1-amine
SMILESCOc1ccc(OC)c2c(C(C)(C)CN)c[nH]c12
InChIInChI=1S/C14H20N2O2/c1-14(2,8-15)9-7-16-13-11(18-4)6-5-10(17-3)12(9)13/h5-7,16H,8,15H2,1-4H3
InChIKeyGYVPMHWUSPOOJF-UHFFFAOYSA-N
XLogP2.42
TPSA60.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,7-dimethoxy-1H-indol-3-yl)-2-methylpropan-1-amine?
The IUPAC name of 2-(4,7-dimethoxy-1H-indol-3-yl)-2-methylpropan-1-amine (CID 82498773) is 2-(4,7-dimethoxy-1H-indol-3-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(4,7-dimethoxy-1H-indol-3-yl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(4,7-dimethoxy-1H-indol-3-yl)-2-methylpropan-1-amine is COc1ccc(OC)c2c(C(C)(C)CN)c[nH]c12.
What is the InChIKey of 2-(4,7-dimethoxy-1H-indol-3-yl)-2-methylpropan-1-amine?
The InChIKey is GYVPMHWUSPOOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(2,8-15)9-7-16-13-11(18-4)6-5-10(17-3)12(9)13/h5-7,16H,8,15H2,1-4H3.
What are the key properties of 2-(4,7-dimethoxy-1H-indol-3-yl)-2-methylpropan-1-amine?
2-(4,7-dimethoxy-1H-indol-3-yl)-2-methylpropan-1-amine has a molecular weight of 248.33 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,7-dimethoxy-1H-indol-3-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 82498773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).