1-[(4-methylphenyl)methyl]-3-pyrrolidin-3-ylindole

C20H22N2 — CID 84612315

IUPAC1-[(4-methylphenyl)methyl]-3-pyrrolidin-3-ylindole
SMILESCc1ccc(Cn2cc(C3CCNC3)c3ccccc32)cc1
InChIInChI=1S/C20H22N2/c1-15-6-8-16(9-7-15)13-22-14-19(17-10-11-21-12-17)18-4-2-3-5-20(18)22/h2-9,14,17,21H,10-13H2,1H3
InChIKeyLOHMUGKWKTYBHN-UHFFFAOYSA-N
MW290.41 g/mol
LogP4.07
Rot. Bonds3

About 1-[(4-methylphenyl)methyl]-3-pyrrolidin-3-ylindole

1-[(4-methylphenyl)methyl]-3-pyrrolidin-3-ylindole (PubChem CID 84612315) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-3-pyrrolidin-3-ylindole.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-3-pyrrolidin-3-ylindole
PubChem CID84612315
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC Name1-[(4-methylphenyl)methyl]-3-pyrrolidin-3-ylindole
SMILESCc1ccc(Cn2cc(C3CCNC3)c3ccccc32)cc1
InChIInChI=1S/C20H22N2/c1-15-6-8-16(9-7-15)13-22-14-19(17-10-11-21-12-17)18-4-2-3-5-20(18)22/h2-9,14,17,21H,10-13H2,1H3
InChIKeyLOHMUGKWKTYBHN-UHFFFAOYSA-N
XLogP4.07
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-methylphenyl)methyl]-3-piperidin-3-ylindole
CID 84612316
[4-[1-[(4-fluorophenyl)methyl]indol-3-yl]cyclohexyl]methanamine
CID 84612219
1-methyl-3-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]indole
CID 166376440
1-(4-methylphenyl)sulfonyl-3-piperidin-4-ylindole
CID 58017354
1-[(4-methylphenyl)methyl]indole-3-carbonitrile
CID 82086176
4-(2-aminoethyl)benzenethiol;1,6-dimethyl-3-pyrrolidin-3-ylindole
CID 143396108
3-(4-methylnaphthalen-1-yl)pyrrolidine
CID 70971659
4-[4-[1-[(4-fluorophenyl)methyl]indol-3-yl]piperidin-1-yl]-1-(3-methylphenyl)butan-1-ol
CID 70007741
3-(1-azabicyclo[2.2.2]octan-3-yl)-1-benzylindole
CID 84612194
1-[[4-(2-piperidin-3-ylphenyl)phenyl]methyl]indole
CID 10248354
3-[1-[(4-propylphenyl)methyl]pyrrolidin-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]indole
CID 69367148
(5E)-5-[[1-[(4-methylphenyl)methyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2278163

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-3-pyrrolidin-3-ylindole?
The IUPAC name of 1-[(4-methylphenyl)methyl]-3-pyrrolidin-3-ylindole (CID 84612315) is 1-[(4-methylphenyl)methyl]-3-pyrrolidin-3-ylindole.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-3-pyrrolidin-3-ylindole?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-3-pyrrolidin-3-ylindole is Cc1ccc(Cn2cc(C3CCNC3)c3ccccc32)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-3-pyrrolidin-3-ylindole?
The InChIKey is LOHMUGKWKTYBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2/c1-15-6-8-16(9-7-15)13-22-14-19(17-10-11-21-12-17)18-4-2-3-5-20(18)22/h2-9,14,17,21H,10-13H2,1H3.
What are the key properties of 1-[(4-methylphenyl)methyl]-3-pyrrolidin-3-ylindole?
1-[(4-methylphenyl)methyl]-3-pyrrolidin-3-ylindole has a molecular weight of 290.41 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-3-pyrrolidin-3-ylindole is sourced from PubChem (CID 84612315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).