2-(3-bromo-5-ethyl-1H-indol-2-yl)propan-2-amine

C13H17BrN2 — CID 84642822

IUPAC2-(3-bromo-5-ethyl-1H-indol-2-yl)propan-2-amine
SMILESCCc1ccc2[nH]c(C(C)(C)N)c(Br)c2c1
InChIInChI=1S/C13H17BrN2/c1-4-8-5-6-10-9(7-8)11(14)12(16-10)13(2,3)15/h5-7,16H,4,15H2,1-3H3
InChIKeyVPXGKNZDTZBZIP-UHFFFAOYSA-N
MW281.20 g/mol
LogP3.69
Rot. Bonds2

About 2-(3-bromo-5-ethyl-1H-indol-2-yl)propan-2-amine

2-(3-bromo-5-ethyl-1H-indol-2-yl)propan-2-amine (PubChem CID 84642822) has the molecular formula C13H17BrN2 and a molecular weight of 281.20 g/mol. Its IUPAC name is 2-(3-bromo-5-ethyl-1H-indol-2-yl)propan-2-amine.

Molecular Properties

Compound Name2-(3-bromo-5-ethyl-1H-indol-2-yl)propan-2-amine
PubChem CID84642822
Molecular FormulaC13H17BrN2
Molecular Weight281.20 g/mol
Exact Mass280.06
IUPAC Name2-(3-bromo-5-ethyl-1H-indol-2-yl)propan-2-amine
SMILESCCc1ccc2[nH]c(C(C)(C)N)c(Br)c2c1
InChIInChI=1S/C13H17BrN2/c1-4-8-5-6-10-9(7-8)11(14)12(16-10)13(2,3)15/h5-7,16H,4,15H2,1-3H3
InChIKeyVPXGKNZDTZBZIP-UHFFFAOYSA-N
XLogP3.69
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.20
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-5-ethyl-2-methyl-1H-indole
CID 82279891
1-(3-bromo-5-ethyl-1H-indol-2-yl)-N-methylmethanamine
CID 84640380
3-bromo-5-ethyl-2-piperidin-3-yl-1H-indole
CID 84644943
1-(5-ethyl-2-methyl-1H-indol-3-yl)ethanamine
CID 82279274
O-[(2,3-dimethyl-1H-indol-5-yl)methyl]hydroxylamine
CID 117281978
6-ethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 82275010
1-(5-ethyl-2-methyl-1H-indol-3-yl)propan-2-amine
CID 82279096
10-ethyl-7H-benzo[c]carbazole
CID 131998873
2-ethyl-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one
CID 63351442
2,8,12-triethyl-6-pentyl-5,11-dihydroindolo[3,2-b]carbazole
CID 138966554
9,10-dibromo-2-ethyl-6-methylanthracene
CID 141353803
(6-ethyl-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)methanamine
CID 82386113

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-ethyl-1H-indol-2-yl)propan-2-amine?
The IUPAC name of 2-(3-bromo-5-ethyl-1H-indol-2-yl)propan-2-amine (CID 84642822) is 2-(3-bromo-5-ethyl-1H-indol-2-yl)propan-2-amine.
What is the SMILES notation for 2-(3-bromo-5-ethyl-1H-indol-2-yl)propan-2-amine?
The canonical SMILES for 2-(3-bromo-5-ethyl-1H-indol-2-yl)propan-2-amine is CCc1ccc2[nH]c(C(C)(C)N)c(Br)c2c1.
What is the InChIKey of 2-(3-bromo-5-ethyl-1H-indol-2-yl)propan-2-amine?
The InChIKey is VPXGKNZDTZBZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2/c1-4-8-5-6-10-9(7-8)11(14)12(16-10)13(2,3)15/h5-7,16H,4,15H2,1-3H3.
What are the key properties of 2-(3-bromo-5-ethyl-1H-indol-2-yl)propan-2-amine?
2-(3-bromo-5-ethyl-1H-indol-2-yl)propan-2-amine has a molecular weight of 281.20 g/mol, XLogP of 3.69, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-ethyl-1H-indol-2-yl)propan-2-amine is sourced from PubChem (CID 84642822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).