1-benzyl-5-(1-pyrrolidin-1-ylethoxy)indole

C21H24N2O — CID 175357522

IUPAC1-benzyl-5-(1-pyrrolidin-1-ylethoxy)indole
SMILESCC(Oc1ccc2c(ccn2Cc2ccccc2)c1)N1CCCC1
InChIInChI=1S/C21H24N2O/c1-17(22-12-5-6-13-22)24-20-9-10-21-19(15-20)11-14-23(21)16-18-7-3-2-4-8-18/h2-4,7-11,14-15,17H,5-6,12-13,16H2,1H3
InChIKeyQGTXVZZHJRATCH-UHFFFAOYSA-N
MW320.44 g/mol
LogP4.51
Rot. Bonds5

About 1-benzyl-5-(1-pyrrolidin-1-ylethoxy)indole

1-benzyl-5-(1-pyrrolidin-1-ylethoxy)indole (PubChem CID 175357522) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-benzyl-5-(1-pyrrolidin-1-ylethoxy)indole.

Molecular Properties

Compound Name1-benzyl-5-(1-pyrrolidin-1-ylethoxy)indole
PubChem CID175357522
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name1-benzyl-5-(1-pyrrolidin-1-ylethoxy)indole
SMILESCC(Oc1ccc2c(ccn2Cc2ccccc2)c1)N1CCCC1
InChIInChI=1S/C21H24N2O/c1-17(22-12-5-6-13-22)24-20-9-10-21-19(15-20)11-14-23(21)16-18-7-3-2-4-8-18/h2-4,7-11,14-15,17H,5-6,12-13,16H2,1H3
InChIKeyQGTXVZZHJRATCH-UHFFFAOYSA-N
XLogP4.51
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-methoxyphenyl)methyl]indole-5-carboxylic acid
CID 63748947
1-(2-piperidin-1-ylethyl)-5-propan-2-yloxyindole
CID 116625738
1-[(3-methoxyphenyl)methyl]-5-(2-piperidin-1-ylethoxy)indole
CID 175357552
1-[(5-ethylthiophen-2-yl)methyl]-5-propan-2-yloxyindole
CID 116625768
2-(1-benzylindol-5-yl)acetic acid
CID 71441824
2-(5-phenylmethoxyindol-1-yl)-N-propan-2-ylacetamide
CID 39314820
1-(2-methoxyethyl)-5-propan-2-yloxyindole
CID 116625827
5-propan-2-yloxy-1-prop-2-ynylindole
CID 116625801
1-(cyclopentylmethyl)-5-propan-2-yloxyindole
CID 116625784
1-benzyl-N-methylsulfonylindole-5-carboxamide
CID 171343054
5-methoxy-1-[(3-nitrophenyl)methyl]indole
CID 116619348
methyl 3-[[5-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]indol-1-yl]methyl]benzoate
CID 58138480

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(1-pyrrolidin-1-ylethoxy)indole?
The IUPAC name of 1-benzyl-5-(1-pyrrolidin-1-ylethoxy)indole (CID 175357522) is 1-benzyl-5-(1-pyrrolidin-1-ylethoxy)indole.
What is the SMILES notation for 1-benzyl-5-(1-pyrrolidin-1-ylethoxy)indole?
The canonical SMILES for 1-benzyl-5-(1-pyrrolidin-1-ylethoxy)indole is CC(Oc1ccc2c(ccn2Cc2ccccc2)c1)N1CCCC1.
What is the InChIKey of 1-benzyl-5-(1-pyrrolidin-1-ylethoxy)indole?
The InChIKey is QGTXVZZHJRATCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-17(22-12-5-6-13-22)24-20-9-10-21-19(15-20)11-14-23(21)16-18-7-3-2-4-8-18/h2-4,7-11,14-15,17H,5-6,12-13,16H2,1H3.
What are the key properties of 1-benzyl-5-(1-pyrrolidin-1-ylethoxy)indole?
1-benzyl-5-(1-pyrrolidin-1-ylethoxy)indole has a molecular weight of 320.44 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(1-pyrrolidin-1-ylethoxy)indole is sourced from PubChem (CID 175357522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).