6-bromo-1-ethyl-2-(pyrrolidin-1-ylmethyl)indole

C15H19BrN2 — CID 117180580

IUPAC6-bromo-1-ethyl-2-(pyrrolidin-1-ylmethyl)indole
SMILESCCn1c(CN2CCCC2)cc2ccc(Br)cc21
InChIInChI=1S/C15H19BrN2/c1-2-18-14(11-17-7-3-4-8-17)9-12-5-6-13(16)10-15(12)18/h5-6,9-10H,2-4,7-8,11H2,1H3
InChIKeyUBBOGSYYUPSVHO-UHFFFAOYSA-N
MW307.24 g/mol
LogP4.02
Rot. Bonds3

About 6-bromo-1-ethyl-2-(pyrrolidin-1-ylmethyl)indole

6-bromo-1-ethyl-2-(pyrrolidin-1-ylmethyl)indole (PubChem CID 117180580) has the molecular formula C15H19BrN2 and a molecular weight of 307.24 g/mol. Its IUPAC name is 6-bromo-1-ethyl-2-(pyrrolidin-1-ylmethyl)indole.

Molecular Properties

Compound Name6-bromo-1-ethyl-2-(pyrrolidin-1-ylmethyl)indole
PubChem CID117180580
Molecular FormulaC15H19BrN2
Molecular Weight307.24 g/mol
Exact Mass306.07
IUPAC Name6-bromo-1-ethyl-2-(pyrrolidin-1-ylmethyl)indole
SMILESCCn1c(CN2CCCC2)cc2ccc(Br)cc21
InChIInChI=1S/C15H19BrN2/c1-2-18-14(11-17-7-3-4-8-17)9-12-5-6-13(16)10-15(12)18/h5-6,9-10H,2-4,7-8,11H2,1H3
InChIKeyUBBOGSYYUPSVHO-UHFFFAOYSA-N
XLogP4.02
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.24
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]indol-6-amine
CID 117180617
1-ethyl-2-(morpholin-4-ylmethyl)indol-6-ol
CID 117180604
1-ethyl-2-(pyrrolidin-1-ylmethyl)indole-4-carboxylic acid
CID 117174090
1-ethyl-2-(morpholin-4-ylmethyl)indol-5-amine
CID 117177153
[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]methanamine
CID 117177024
2-amino-2-(6-bromo-1-ethylindol-2-yl)acetic acid
CID 115072292
O-[(5-bromo-1-ethylindol-2-yl)methyl]hydroxylamine
CID 117195269
2-(azepan-1-ylmethyl)-1-methylindole-6-carboxylic acid
CID 117180384
5-fluoro-1-methyl-2-(pyrrolidin-1-ylmethyl)indole
CID 117176614
5-bromo-2-(pyrrolidin-1-ylmethyl)-1H-indole
CID 66670945
2-(azepan-1-ylmethyl)-1,5-dimethylindole
CID 117185359
1-[(5-bromo-1-benzothiophen-2-yl)methyl]piperidine
CID 117176321

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-ethyl-2-(pyrrolidin-1-ylmethyl)indole?
The IUPAC name of 6-bromo-1-ethyl-2-(pyrrolidin-1-ylmethyl)indole (CID 117180580) is 6-bromo-1-ethyl-2-(pyrrolidin-1-ylmethyl)indole.
What is the SMILES notation for 6-bromo-1-ethyl-2-(pyrrolidin-1-ylmethyl)indole?
The canonical SMILES for 6-bromo-1-ethyl-2-(pyrrolidin-1-ylmethyl)indole is CCn1c(CN2CCCC2)cc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-1-ethyl-2-(pyrrolidin-1-ylmethyl)indole?
The InChIKey is UBBOGSYYUPSVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2/c1-2-18-14(11-17-7-3-4-8-17)9-12-5-6-13(16)10-15(12)18/h5-6,9-10H,2-4,7-8,11H2,1H3.
What are the key properties of 6-bromo-1-ethyl-2-(pyrrolidin-1-ylmethyl)indole?
6-bromo-1-ethyl-2-(pyrrolidin-1-ylmethyl)indole has a molecular weight of 307.24 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-ethyl-2-(pyrrolidin-1-ylmethyl)indole is sourced from PubChem (CID 117180580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).