2-(5-methoxy-7-methyl-1H-indol-3-yl)propan-1-amine

C13H18N2O — CID 82493655

IUPAC2-(5-methoxy-7-methyl-1H-indol-3-yl)propan-1-amine
SMILESCOc1cc(C)c2[nH]cc(C(C)CN)c2c1
InChIInChI=1S/C13H18N2O/c1-8-4-10(16-3)5-11-12(9(2)6-14)7-15-13(8)11/h4-5,7,9,15H,6,14H2,1-3H3
InChIKeyAMTQATVYDMNTRC-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.55
Rot. Bonds3

About 2-(5-methoxy-7-methyl-1H-indol-3-yl)propan-1-amine

2-(5-methoxy-7-methyl-1H-indol-3-yl)propan-1-amine (PubChem CID 82493655) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(5-methoxy-7-methyl-1H-indol-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-(5-methoxy-7-methyl-1H-indol-3-yl)propan-1-amine
PubChem CID82493655
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-(5-methoxy-7-methyl-1H-indol-3-yl)propan-1-amine
SMILESCOc1cc(C)c2[nH]cc(C(C)CN)c2c1
InChIInChI=1S/C13H18N2O/c1-8-4-10(16-3)5-11-12(9(2)6-14)7-15-13(8)11/h4-5,7,9,15H,6,14H2,1-3H3
InChIKeyAMTQATVYDMNTRC-UHFFFAOYSA-N
XLogP2.55
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(7-methoxy-5-methyl-1H-indol-3-yl)propan-1-amine
CID 82493647
5-methoxy-3,7-dimethyl-1H-indole
CID 82490544
2-(5-methoxy-1,7-dimethylindol-3-yl)propan-1-amine
CID 82495876
3-(5-methoxy-7-methyl-1H-indol-3-yl)-3-methylbutan-1-amine
CID 84632477
ethyl 2-(5-methoxy-7-methyl-1H-indol-3-yl)acetate
CID 84741855
5,7-dimethyl-3-pentan-2-yl-1H-indole
CID 106985627
2-(5-methoxy-7-methyl-1H-indol-3-yl)-2-oxo-N,N-di(propan-2-yl)acetamide
CID 168946827
2-(7-methoxy-5-methyl-1H-indol-3-yl)-3-methylbutan-1-amine
CID 82498302
N,N-diethyl-2-(5-methoxy-7-methyl-1H-indol-3-yl)ethanamine
CID 168946783
1-(5-methoxy-2,7-dimethyl-1H-indol-3-yl)propan-2-amine
CID 82495879
2-(5-methoxy-7-methyl-1H-indol-3-yl)-2-oxoacetic acid
CID 82495967
5-methoxy-7-methyl-3-(piperidin-4-ylmethyl)-1H-indole
CID 82500153

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-7-methyl-1H-indol-3-yl)propan-1-amine?
The IUPAC name of 2-(5-methoxy-7-methyl-1H-indol-3-yl)propan-1-amine (CID 82493655) is 2-(5-methoxy-7-methyl-1H-indol-3-yl)propan-1-amine.
What is the SMILES notation for 2-(5-methoxy-7-methyl-1H-indol-3-yl)propan-1-amine?
The canonical SMILES for 2-(5-methoxy-7-methyl-1H-indol-3-yl)propan-1-amine is COc1cc(C)c2[nH]cc(C(C)CN)c2c1.
What is the InChIKey of 2-(5-methoxy-7-methyl-1H-indol-3-yl)propan-1-amine?
The InChIKey is AMTQATVYDMNTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-8-4-10(16-3)5-11-12(9(2)6-14)7-15-13(8)11/h4-5,7,9,15H,6,14H2,1-3H3.
What are the key properties of 2-(5-methoxy-7-methyl-1H-indol-3-yl)propan-1-amine?
2-(5-methoxy-7-methyl-1H-indol-3-yl)propan-1-amine has a molecular weight of 218.30 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-7-methyl-1H-indol-3-yl)propan-1-amine is sourced from PubChem (CID 82493655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).