3-(7-bromo-1-ethylindol-2-yl)propan-1-amine

C13H17BrN2 — CID 117196972

IUPAC3-(7-bromo-1-ethylindol-2-yl)propan-1-amine
SMILESCCn1c(CCCN)cc2cccc(Br)c21
InChIInChI=1S/C13H17BrN2/c1-2-16-11(6-4-8-15)9-10-5-3-7-12(14)13(10)16/h3,5,7,9H,2,4,6,8,15H2,1H3
InChIKeyDDHGVUHBZCUFFF-UHFFFAOYSA-N
MW281.20 g/mol
LogP3.32
Rot. Bonds4

About 3-(7-bromo-1-ethylindol-2-yl)propan-1-amine

3-(7-bromo-1-ethylindol-2-yl)propan-1-amine (PubChem CID 117196972) has the molecular formula C13H17BrN2 and a molecular weight of 281.20 g/mol. Its IUPAC name is 3-(7-bromo-1-ethylindol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(7-bromo-1-ethylindol-2-yl)propan-1-amine
PubChem CID117196972
Molecular FormulaC13H17BrN2
Molecular Weight281.20 g/mol
Exact Mass280.06
IUPAC Name3-(7-bromo-1-ethylindol-2-yl)propan-1-amine
SMILESCCn1c(CCCN)cc2cccc(Br)c21
InChIInChI=1S/C13H17BrN2/c1-2-16-11(6-4-8-15)9-10-5-3-7-12(14)13(10)16/h3,5,7,9H,2,4,6,8,15H2,1H3
InChIKeyDDHGVUHBZCUFFF-UHFFFAOYSA-N
XLogP3.32
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.20
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-methyl-7-(trifluoromethyl)indol-2-yl]propan-1-amine
CID 83919994
3-(1-benzylindol-2-yl)propan-1-amine
CID 115107392
7-bromo-N,N,1-triethylindole-2-carboxamide
CID 171663013
2-[1-ethyl-7-(trifluoromethyl)indol-2-yl]-N-methylethanamine
CID 117196600
(7-bromo-1-ethylindol-2-yl)-morpholin-4-ylmethanone
CID 171663017
7-bromo-1-ethylbenzimidazol-2-amine
CID 84800337
2-amino-1-(7-bromo-1-methylindol-2-yl)ethanone
CID 82379701
1-(1-ethyl-7-methylindol-2-yl)propan-2-amine
CID 117196697
N-[(7-bromo-1-methylindol-2-yl)methyl]hydroxylamine
CID 82665313
ethyl 7-bromo-1-butylindole-2-carboxylate
CID 171662940
3-(2-methyl-1-propan-2-ylindol-7-yl)propan-1-amine
CID 117205192
3-(7-chloro-1-ethylbenzimidazol-2-yl)propan-1-amine
CID 60786927

Frequently Asked Questions

What is the IUPAC name of 3-(7-bromo-1-ethylindol-2-yl)propan-1-amine?
The IUPAC name of 3-(7-bromo-1-ethylindol-2-yl)propan-1-amine (CID 117196972) is 3-(7-bromo-1-ethylindol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(7-bromo-1-ethylindol-2-yl)propan-1-amine?
The canonical SMILES for 3-(7-bromo-1-ethylindol-2-yl)propan-1-amine is CCn1c(CCCN)cc2cccc(Br)c21.
What is the InChIKey of 3-(7-bromo-1-ethylindol-2-yl)propan-1-amine?
The InChIKey is DDHGVUHBZCUFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2/c1-2-16-11(6-4-8-15)9-10-5-3-7-12(14)13(10)16/h3,5,7,9H,2,4,6,8,15H2,1H3.
What are the key properties of 3-(7-bromo-1-ethylindol-2-yl)propan-1-amine?
3-(7-bromo-1-ethylindol-2-yl)propan-1-amine has a molecular weight of 281.20 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-bromo-1-ethylindol-2-yl)propan-1-amine is sourced from PubChem (CID 117196972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).