2-(5-bromoindol-1-yl)-N-(dicyclopropylmethyl)ethanamine

C17H21BrN2 — CID 62564077

IUPAC2-(5-bromoindol-1-yl)-N-(dicyclopropylmethyl)ethanamine
SMILESBrc1ccc2c(ccn2CCNC(C2CC2)C2CC2)c1
InChIInChI=1S/C17H21BrN2/c18-15-5-6-16-14(11-15)7-9-20(16)10-8-19-17(12-1-2-12)13-3-4-13/h5-7,9,11-13,17,19H,1-4,8,10H2
InChIKeyYFTROZYRASYCFA-UHFFFAOYSA-N
MW333.27 g/mol
LogP4.18
Rot. Bonds6

About 2-(5-bromoindol-1-yl)-N-(dicyclopropylmethyl)ethanamine

2-(5-bromoindol-1-yl)-N-(dicyclopropylmethyl)ethanamine (PubChem CID 62564077) has the molecular formula C17H21BrN2 and a molecular weight of 333.27 g/mol. Its IUPAC name is 2-(5-bromoindol-1-yl)-N-(dicyclopropylmethyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromoindol-1-yl)-N-(dicyclopropylmethyl)ethanamine
PubChem CID62564077
Molecular FormulaC17H21BrN2
Molecular Weight333.27 g/mol
Exact Mass332.09
IUPAC Name2-(5-bromoindol-1-yl)-N-(dicyclopropylmethyl)ethanamine
SMILESBrc1ccc2c(ccn2CCNC(C2CC2)C2CC2)c1
InChIInChI=1S/C17H21BrN2/c18-15-5-6-16-14(11-15)7-9-20(16)10-8-19-17(12-1-2-12)13-3-4-13/h5-7,9,11-13,17,19H,1-4,8,10H2
InChIKeyYFTROZYRASYCFA-UHFFFAOYSA-N
XLogP4.18
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromoindol-1-yl)-N-(dicyclopropylmethyl)ethanamine?
The IUPAC name of 2-(5-bromoindol-1-yl)-N-(dicyclopropylmethyl)ethanamine (CID 62564077) is 2-(5-bromoindol-1-yl)-N-(dicyclopropylmethyl)ethanamine.
What is the SMILES notation for 2-(5-bromoindol-1-yl)-N-(dicyclopropylmethyl)ethanamine?
The canonical SMILES for 2-(5-bromoindol-1-yl)-N-(dicyclopropylmethyl)ethanamine is Brc1ccc2c(ccn2CCNC(C2CC2)C2CC2)c1.
What is the InChIKey of 2-(5-bromoindol-1-yl)-N-(dicyclopropylmethyl)ethanamine?
The InChIKey is YFTROZYRASYCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2/c18-15-5-6-16-14(11-15)7-9-20(16)10-8-19-17(12-1-2-12)13-3-4-13/h5-7,9,11-13,17,19H,1-4,8,10H2.
What are the key properties of 2-(5-bromoindol-1-yl)-N-(dicyclopropylmethyl)ethanamine?
2-(5-bromoindol-1-yl)-N-(dicyclopropylmethyl)ethanamine has a molecular weight of 333.27 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromoindol-1-yl)-N-(dicyclopropylmethyl)ethanamine is sourced from PubChem (CID 62564077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).