2-(5-methoxy-1H-indol-3-yl)propan-1-amine

C12H16N2O — CID 30241

IUPAC2-(5-methoxy-1H-indol-3-yl)propan-1-amine
SMILESCOc1ccc2[nH]cc(C(C)CN)c2c1
InChIInChI=1S/C12H16N2O/c1-8(6-13)11-7-14-12-4-3-9(15-2)5-10(11)12/h3-5,7-8,14H,6,13H2,1-2H3
InChIKeyPLKJXFPRSHOODN-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.24
Rot. Bonds3

About 2-(5-methoxy-1H-indol-3-yl)propan-1-amine

2-(5-methoxy-1H-indol-3-yl)propan-1-amine (PubChem CID 30241) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-(5-methoxy-1H-indol-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-(5-methoxy-1H-indol-3-yl)propan-1-amine
PubChem CID30241
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-(5-methoxy-1H-indol-3-yl)propan-1-amine
SMILESCOc1ccc2[nH]cc(C(C)CN)c2c1
InChIInChI=1S/C12H16N2O/c1-8(6-13)11-7-14-12-4-3-9(15-2)5-10(11)12/h3-5,7-8,14H,6,13H2,1-2H3
InChIKeyPLKJXFPRSHOODN-UHFFFAOYSA-N
XLogP2.24
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1H-indol-3-yl)propan-1-amine?
The IUPAC name of 2-(5-methoxy-1H-indol-3-yl)propan-1-amine (CID 30241) is 2-(5-methoxy-1H-indol-3-yl)propan-1-amine.
What is the SMILES notation for 2-(5-methoxy-1H-indol-3-yl)propan-1-amine?
The canonical SMILES for 2-(5-methoxy-1H-indol-3-yl)propan-1-amine is COc1ccc2[nH]cc(C(C)CN)c2c1.
What is the InChIKey of 2-(5-methoxy-1H-indol-3-yl)propan-1-amine?
The InChIKey is PLKJXFPRSHOODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-8(6-13)11-7-14-12-4-3-9(15-2)5-10(11)12/h3-5,7-8,14H,6,13H2,1-2H3.
What are the key properties of 2-(5-methoxy-1H-indol-3-yl)propan-1-amine?
2-(5-methoxy-1H-indol-3-yl)propan-1-amine has a molecular weight of 204.27 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1H-indol-3-yl)propan-1-amine is sourced from PubChem (CID 30241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).