7-methoxy-4-methyl-3-(pyrrolidin-3-ylmethyl)-1H-indole

C15H20N2O — CID 84631561

IUPAC7-methoxy-4-methyl-3-(pyrrolidin-3-ylmethyl)-1H-indole
SMILESCOc1ccc(C)c2c(CC3CCNC3)c[nH]c12
InChIInChI=1S/C15H20N2O/c1-10-3-4-13(18-2)15-14(10)12(9-17-15)7-11-5-6-16-8-11/h3-4,9,11,16-17H,5-8H2,1-2H3
InChIKeySANMYGKAXIHFKG-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.64
Rot. Bonds3

About 7-methoxy-4-methyl-3-(pyrrolidin-3-ylmethyl)-1H-indole

7-methoxy-4-methyl-3-(pyrrolidin-3-ylmethyl)-1H-indole (PubChem CID 84631561) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 7-methoxy-4-methyl-3-(pyrrolidin-3-ylmethyl)-1H-indole.

Molecular Properties

Compound Name7-methoxy-4-methyl-3-(pyrrolidin-3-ylmethyl)-1H-indole
PubChem CID84631561
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name7-methoxy-4-methyl-3-(pyrrolidin-3-ylmethyl)-1H-indole
SMILESCOc1ccc(C)c2c(CC3CCNC3)c[nH]c12
InChIInChI=1S/C15H20N2O/c1-10-3-4-13(18-2)15-14(10)12(9-17-15)7-11-5-6-16-8-11/h3-4,9,11,16-17H,5-8H2,1-2H3
InChIKeySANMYGKAXIHFKG-UHFFFAOYSA-N
XLogP2.64
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,7-dimethoxy-3-(piperidin-4-ylmethyl)-1H-indole
CID 96680162
3-[(3-bromo-4-methoxy-2-methylphenyl)methyl]pyrrolidine
CID 84812866
3-[(2-chloro-3-methoxy-4-methylphenyl)methyl]pyrrolidine
CID 84800053
5-methoxy-4-methyl-2-(pyrrolidin-3-ylmethyl)phenol
CID 84787982
3-[(4-fluoro-5-methoxy-2-methylphenyl)methyl]pyrrolidine
CID 84789080
3-[(2-fluoro-3,6-dimethoxyphenyl)methyl]pyrrolidine
CID 84799616
5-methoxy-7-methyl-3-(piperidin-4-ylmethyl)-1H-indole
CID 82500153
3-[(2,6-difluoro-3-methoxyphenyl)methyl]pyrrolidine
CID 84791339
3-[(5-methoxy-2-methylphenyl)methyl]piperidine
CID 84786963
5-methyl-3-(pyrrolidin-3-ylmethyl)-1H-indole
CID 18965344
3-[(2-methoxyphenyl)methyl]piperidine
CID 5005916
3-[(4-methoxy-3-methylphenyl)sulfanylmethyl]pyrrolidine
CID 117033074

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-methyl-3-(pyrrolidin-3-ylmethyl)-1H-indole?
The IUPAC name of 7-methoxy-4-methyl-3-(pyrrolidin-3-ylmethyl)-1H-indole (CID 84631561) is 7-methoxy-4-methyl-3-(pyrrolidin-3-ylmethyl)-1H-indole.
What is the SMILES notation for 7-methoxy-4-methyl-3-(pyrrolidin-3-ylmethyl)-1H-indole?
The canonical SMILES for 7-methoxy-4-methyl-3-(pyrrolidin-3-ylmethyl)-1H-indole is COc1ccc(C)c2c(CC3CCNC3)c[nH]c12.
What is the InChIKey of 7-methoxy-4-methyl-3-(pyrrolidin-3-ylmethyl)-1H-indole?
The InChIKey is SANMYGKAXIHFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-10-3-4-13(18-2)15-14(10)12(9-17-15)7-11-5-6-16-8-11/h3-4,9,11,16-17H,5-8H2,1-2H3.
What are the key properties of 7-methoxy-4-methyl-3-(pyrrolidin-3-ylmethyl)-1H-indole?
7-methoxy-4-methyl-3-(pyrrolidin-3-ylmethyl)-1H-indole has a molecular weight of 244.34 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-methyl-3-(pyrrolidin-3-ylmethyl)-1H-indole is sourced from PubChem (CID 84631561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).