1-(5-bromo-1-methylindol-3-yl)propan-1-amine

C12H15BrN2 — CID 82278922

IUPAC1-(5-bromo-1-methylindol-3-yl)propan-1-amine
SMILESCCC(N)c1cn(C)c2ccc(Br)cc12
InChIInChI=1S/C12H15BrN2/c1-3-11(14)10-7-15(2)12-5-4-8(13)6-9(10)12/h4-7,11H,3,14H2,1-2H3
InChIKeySGCUEBMWQLBVDS-UHFFFAOYSA-N
MW267.17 g/mol
LogP3.35
Rot. Bonds2

About 1-(5-bromo-1-methylindol-3-yl)propan-1-amine

1-(5-bromo-1-methylindol-3-yl)propan-1-amine (PubChem CID 82278922) has the molecular formula C12H15BrN2 and a molecular weight of 267.17 g/mol. Its IUPAC name is 1-(5-bromo-1-methylindol-3-yl)propan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-1-methylindol-3-yl)propan-1-amine
PubChem CID82278922
Molecular FormulaC12H15BrN2
Molecular Weight267.17 g/mol
Exact Mass266.04
IUPAC Name1-(5-bromo-1-methylindol-3-yl)propan-1-amine
SMILESCCC(N)c1cn(C)c2ccc(Br)cc12
InChIInChI=1S/C12H15BrN2/c1-3-11(14)10-7-15(2)12-5-4-8(13)6-9(10)12/h4-7,11H,3,14H2,1-2H3
InChIKeySGCUEBMWQLBVDS-UHFFFAOYSA-N
XLogP3.35
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-methyl-5-propan-2-ylindol-3-yl)propan-1-amine
CID 82278918
1-(5-methoxy-1-methylindol-3-yl)ethane-1,2-diamine
CID 170894776
1-(6-bromo-1-methylindol-3-yl)-2-methylpropan-1-amine
CID 82278947
2-(5-bromo-1-methylindol-3-yl)ethanamine
CID 71560076
1-(1-methyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)propan-1-amine
CID 83983968
ethyl 2-amino-2-(6-bromo-1-methylindol-3-yl)acetate
CID 115073266
6-bromo-1-methyl-3-propan-2-ylindole
CID 115046928
(1R)-1-(5-bromo-2-methylphenyl)propan-1-amine
CID 96840213
(1R)-1-(5-bromo-1H-indol-3-yl)propan-1-amine
CID 79015819
(1R)-1-(5-bromo-2-methylphenyl)propan-1-amine;hydrochloride
CID 171203844
1-(5-bromo-2-chlorophenyl)propan-1-amine
CID 83988605
1-(5-bromo-1-methylindol-3-yl)propan-2-ol
CID 83675916

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1-methylindol-3-yl)propan-1-amine?
The IUPAC name of 1-(5-bromo-1-methylindol-3-yl)propan-1-amine (CID 82278922) is 1-(5-bromo-1-methylindol-3-yl)propan-1-amine.
What is the SMILES notation for 1-(5-bromo-1-methylindol-3-yl)propan-1-amine?
The canonical SMILES for 1-(5-bromo-1-methylindol-3-yl)propan-1-amine is CCC(N)c1cn(C)c2ccc(Br)cc12.
What is the InChIKey of 1-(5-bromo-1-methylindol-3-yl)propan-1-amine?
The InChIKey is SGCUEBMWQLBVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2/c1-3-11(14)10-7-15(2)12-5-4-8(13)6-9(10)12/h4-7,11H,3,14H2,1-2H3.
What are the key properties of 1-(5-bromo-1-methylindol-3-yl)propan-1-amine?
1-(5-bromo-1-methylindol-3-yl)propan-1-amine has a molecular weight of 267.17 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1-methylindol-3-yl)propan-1-amine is sourced from PubChem (CID 82278922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).