2,5-dimethyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]indole

C23H28N2O — CID 16659553

IUPAC2,5-dimethyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]indole
SMILESCc1ccc2c(c1)cc(C)n2-c1ccc(OCCCN2CCCC2)cc1
InChIInChI=1S/C23H28N2O/c1-18-6-11-23-20(16-18)17-19(2)25(23)21-7-9-22(10-8-21)26-15-5-14-24-12-3-4-13-24/h6-11,16-17H,3-5,12-15H2,1-2H3
InChIKeyYUYXNUMHDVRIAP-UHFFFAOYSA-N
MW348.49 g/mol
LogP5.11
Rot. Bonds6

About 2,5-dimethyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]indole

2,5-dimethyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]indole (PubChem CID 16659553) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is 2,5-dimethyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]indole.

Molecular Properties

Compound Name2,5-dimethyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]indole
PubChem CID16659553
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name2,5-dimethyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]indole
SMILESCc1ccc2c(c1)cc(C)n2-c1ccc(OCCCN2CCCC2)cc1
InChIInChI=1S/C23H28N2O/c1-18-6-11-23-20(16-18)17-19(2)25(23)21-7-9-22(10-8-21)26-15-5-14-24-12-3-4-13-24/h6-11,16-17H,3-5,12-15H2,1-2H3
InChIKeyYUYXNUMHDVRIAP-UHFFFAOYSA-N
XLogP5.11
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethyl-1-[4-(4-pyrrolidin-1-ylbutoxy)phenyl]indole
CID 143447161
2,5-bis(methylsulfonyl)-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]indole
CID 69130162
2,6-dimethyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one
CID 11509385
5-methyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrazole
CID 67198599
1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-2-methylindole
CID 16659556
2-cyclopropyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]indole
CID 16660199
1-[3-(2-bromo-4-methylphenoxy)propyl]pyrrolidine
CID 2299479
5-tert-butyl-3-methyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrazole
CID 24785564
1-ethyl-4-[3-(4-methylphenoxy)propyl]piperazine
CID 170591311
2-methyl-6-(3-methylphenyl)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one
CID 11583574
3-[4-[3-(azepan-1-yl)propoxy]phenyl]-2-methylquinazolin-4-one
CID 11581919
2-[4-[3-(4-methylphenoxy)propyl]piperazin-1-yl]ethanamine
CID 19018057

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]indole?
The IUPAC name of 2,5-dimethyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]indole (CID 16659553) is 2,5-dimethyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]indole.
What is the SMILES notation for 2,5-dimethyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]indole?
The canonical SMILES for 2,5-dimethyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]indole is Cc1ccc2c(c1)cc(C)n2-c1ccc(OCCCN2CCCC2)cc1.
What is the InChIKey of 2,5-dimethyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]indole?
The InChIKey is YUYXNUMHDVRIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-18-6-11-23-20(16-18)17-19(2)25(23)21-7-9-22(10-8-21)26-15-5-14-24-12-3-4-13-24/h6-11,16-17H,3-5,12-15H2,1-2H3.
What are the key properties of 2,5-dimethyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]indole?
2,5-dimethyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]indole has a molecular weight of 348.49 g/mol, XLogP of 5.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]indole is sourced from PubChem (CID 16659553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).