1-methyl-3-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]indole

C21H24N2 — CID 166376440

IUPAC1-methyl-3-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]indole
SMILESCc1ccc(CN2CCC(c3cn(C)c4ccccc34)C2)cc1
InChIInChI=1S/C21H24N2/c1-16-7-9-17(10-8-16)13-23-12-11-18(14-23)20-15-22(2)21-6-4-3-5-19(20)21/h3-10,15,18H,11-14H2,1-2H3
InChIKeyFABZTLSNDBZMAZ-UHFFFAOYSA-N
MW304.44 g/mol
LogP4.48
Rot. Bonds3

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

1-methyl-3-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]indole (PubChem CID 166376440) has the molecular formula C21H24N2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 1-methyl-3-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]indole.

Molecular Properties

Compound Name1-methyl-3-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]indole
PubChem CID166376440
Molecular FormulaC21H24N2
Molecular Weight304.44 g/mol
Exact Mass304.19
IUPAC Name1-methyl-3-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]indole
SMILESCc1ccc(CN2CCC(c3cn(C)c4ccccc34)C2)cc1
InChIInChI=1S/C21H24N2/c1-16-7-9-17(10-8-16)13-23-12-11-18(14-23)20-15-22(2)21-6-4-3-5-19(20)21/h3-10,15,18H,11-14H2,1-2H3
InChIKeyFABZTLSNDBZMAZ-UHFFFAOYSA-N
XLogP4.48
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-3-[1-(3-pyridin-4-ylpropyl)pyrrolidin-3-yl]indole
CID 167925104
4-[4-(1-methylindol-3-yl)piperidin-1-yl]butan-1-amine
CID 58610231
1-methyl-3-[[(3S)-3-phenylpyrrolidin-1-yl]methyl]indole
CID 162743380
3-[1-[(4-propylphenyl)methyl]pyrrolidin-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]indole
CID 69367148
1-(4-benzylphenyl)sulfonyl-3-(1-benzylpyrrolidin-3-yl)indole
CID 141064066
1-[(4-methylphenyl)methyl]-3-pyrrolidin-3-ylindole
CID 84612315
3-(1-benzylpyrrolidin-3-yl)-1-(2-iodophenyl)sulfonylindole
CID 69372563
4-[[(3S,4R)-3-(dimethylamino)-4-(1-methylindol-3-yl)pyrrolidin-1-yl]methyl]phenol
CID 95854755
1-[(1-methylindol-3-yl)methyl]pyrrolidin-3-amine
CID 55030033
1-methyl-3-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]indole
CID 113087267
1-[(4-methylphenyl)methyl]-3-piperidin-3-ylindole
CID 84612316
3-(1-hexylpiperidin-4-yl)indol-1-amine
CID 23215958

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]indole?
The IUPAC name of 1-methyl-3-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]indole (CID 166376440) is 1-methyl-3-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]indole.
What is the SMILES notation for 1-methyl-3-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]indole?
The canonical SMILES for 1-methyl-3-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]indole is Cc1ccc(CN2CCC(c3cn(C)c4ccccc34)C2)cc1.
What is the InChIKey of 1-methyl-3-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]indole?
The InChIKey is FABZTLSNDBZMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2/c1-16-7-9-17(10-8-16)13-23-12-11-18(14-23)20-15-22(2)21-6-4-3-5-19(20)21/h3-10,15,18H,11-14H2,1-2H3.
What are the key properties of 1-methyl-3-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]indole?
1-methyl-3-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]indole has a molecular weight of 304.44 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]indole is sourced from PubChem (CID 166376440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).