2-(4-bromo-1-cyclopropyl-3-methylindol-2-yl)ethanamine

C14H17BrN2 — CID 115053079

IUPAC2-(4-bromo-1-cyclopropyl-3-methylindol-2-yl)ethanamine
SMILESCc1c(CCN)n(C2CC2)c2cccc(Br)c12
InChIInChI=1S/C14H17BrN2/c1-9-12(7-8-16)17(10-5-6-10)13-4-2-3-11(15)14(9)13/h2-4,10H,5-8,16H2,1H3
InChIKeyALHXQQDFBGGOTG-UHFFFAOYSA-N
MW293.21 g/mol
LogP3.55
Rot. Bonds3

About 2-(4-bromo-1-cyclopropyl-3-methylindol-2-yl)ethanamine

2-(4-bromo-1-cyclopropyl-3-methylindol-2-yl)ethanamine (PubChem CID 115053079) has the molecular formula C14H17BrN2 and a molecular weight of 293.21 g/mol. Its IUPAC name is 2-(4-bromo-1-cyclopropyl-3-methylindol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-1-cyclopropyl-3-methylindol-2-yl)ethanamine
PubChem CID115053079
Molecular FormulaC14H17BrN2
Molecular Weight293.21 g/mol
Exact Mass292.06
IUPAC Name2-(4-bromo-1-cyclopropyl-3-methylindol-2-yl)ethanamine
SMILESCc1c(CCN)n(C2CC2)c2cccc(Br)c12
InChIInChI=1S/C14H17BrN2/c1-9-12(7-8-16)17(10-5-6-10)13-4-2-3-11(15)14(9)13/h2-4,10H,5-8,16H2,1H3
InChIKeyALHXQQDFBGGOTG-UHFFFAOYSA-N
XLogP3.55
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-1-cyclopropyl-3-methylindole-2-carboxylic acid
CID 115053126
3-(4-bromo-1-cyclopropylindol-2-yl)propan-1-amine
CID 115053082
(4-bromo-1-cyclopropylindol-3-yl)methanamine
CID 115049318
2-bromo-6-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)aniline
CID 63112874
2-(1-cyclopentylindol-2-yl)ethanamine
CID 115115551
3-(3-bromo-2-methylphenyl)-4-cyclopropyl-1H-1,2,4-triazole-5-thione
CID 113300187
3-(bromomethyl)-5-(3-bromo-2-methylphenyl)-4-cyclopropyl-1,2,4-triazole
CID 113302390
2-(1-cyclopropylindol-3-yl)ethanamine
CID 105453045
[5-(3-bromo-2-methylphenyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanol
CID 113301581
2-(1-cyclopropyl-4-methoxyindol-3-yl)ethanamine
CID 115037881
1-(4-ethylcyclohexyl)-4-fluorobenzimidazol-2-amine
CID 61470261
[5-(3-bromo-4-fluorophenyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanamine
CID 114020296

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1-cyclopropyl-3-methylindol-2-yl)ethanamine?
The IUPAC name of 2-(4-bromo-1-cyclopropyl-3-methylindol-2-yl)ethanamine (CID 115053079) is 2-(4-bromo-1-cyclopropyl-3-methylindol-2-yl)ethanamine.
What is the SMILES notation for 2-(4-bromo-1-cyclopropyl-3-methylindol-2-yl)ethanamine?
The canonical SMILES for 2-(4-bromo-1-cyclopropyl-3-methylindol-2-yl)ethanamine is Cc1c(CCN)n(C2CC2)c2cccc(Br)c12.
What is the InChIKey of 2-(4-bromo-1-cyclopropyl-3-methylindol-2-yl)ethanamine?
The InChIKey is ALHXQQDFBGGOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2/c1-9-12(7-8-16)17(10-5-6-10)13-4-2-3-11(15)14(9)13/h2-4,10H,5-8,16H2,1H3.
What are the key properties of 2-(4-bromo-1-cyclopropyl-3-methylindol-2-yl)ethanamine?
2-(4-bromo-1-cyclopropyl-3-methylindol-2-yl)ethanamine has a molecular weight of 293.21 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1-cyclopropyl-3-methylindol-2-yl)ethanamine is sourced from PubChem (CID 115053079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).