1-(3-bromo-1H-indol-4-yl)cyclobutan-1-amine

C12H13BrN2 — CID 117416509

IUPAC1-(3-bromo-1H-indol-4-yl)cyclobutan-1-amine
SMILESNC1(c2cccc3[nH]cc(Br)c23)CCC1
InChIInChI=1S/C12H13BrN2/c13-9-7-15-10-4-1-3-8(11(9)10)12(14)5-2-6-12/h1,3-4,7,15H,2,5-6,14H2
InChIKeyGMUNVADBVMLUMZ-UHFFFAOYSA-N
MW265.15 g/mol
LogP3.27
Rot. Bonds1

About 1-(3-bromo-1H-indol-4-yl)cyclobutan-1-amine

1-(3-bromo-1H-indol-4-yl)cyclobutan-1-amine (PubChem CID 117416509) has the molecular formula C12H13BrN2 and a molecular weight of 265.15 g/mol. Its IUPAC name is 1-(3-bromo-1H-indol-4-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-1H-indol-4-yl)cyclobutan-1-amine
PubChem CID117416509
Molecular FormulaC12H13BrN2
Molecular Weight265.15 g/mol
Exact Mass264.03
IUPAC Name1-(3-bromo-1H-indol-4-yl)cyclobutan-1-amine
SMILESNC1(c2cccc3[nH]cc(Br)c23)CCC1
InChIInChI=1S/C12H13BrN2/c13-9-7-15-10-4-1-3-8(11(9)10)12(14)5-2-6-12/h1,3-4,7,15H,2,5-6,14H2
InChIKeyGMUNVADBVMLUMZ-UHFFFAOYSA-N
XLogP3.27
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-4-(1-isocyanatocyclobutyl)-1H-indole
CID 117470233
1-(2-bromophenyl)cycloheptan-1-amine
CID 62830904
1-(2-bromophenyl)cyclopentan-1-amine;hydrochloride
CID 171935306
5-(1-aminocyclopentyl)-3-methyl-1H-indol-4-ol
CID 96600513
1-(4-bromo-1H-indol-2-yl)cyclopentan-1-amine
CID 82378614
1-(2,3-dimethylphenyl)cyclobutan-1-amine
CID 83683088
1-(2,3-difluorophenyl)cyclobutan-1-amine
CID 83412499
2-(3-bromo-1H-indol-4-yl)propan-1-amine
CID 83900751
3-(1-aminocyclobutyl)-2-methylphenol
CID 117277633
1-[3-bromo-2-(cyclopropylmethoxy)phenyl]cyclobutan-1-amine
CID 117477319
2-amino-2-(3-bromo-1H-indol-4-yl)acetic acid
CID 83903017
1-(2,3-dihydro-1H-inden-4-yl)cyclobutan-1-amine
CID 117280910

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-1H-indol-4-yl)cyclobutan-1-amine?
The IUPAC name of 1-(3-bromo-1H-indol-4-yl)cyclobutan-1-amine (CID 117416509) is 1-(3-bromo-1H-indol-4-yl)cyclobutan-1-amine.
What is the SMILES notation for 1-(3-bromo-1H-indol-4-yl)cyclobutan-1-amine?
The canonical SMILES for 1-(3-bromo-1H-indol-4-yl)cyclobutan-1-amine is NC1(c2cccc3[nH]cc(Br)c23)CCC1.
What is the InChIKey of 1-(3-bromo-1H-indol-4-yl)cyclobutan-1-amine?
The InChIKey is GMUNVADBVMLUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2/c13-9-7-15-10-4-1-3-8(11(9)10)12(14)5-2-6-12/h1,3-4,7,15H,2,5-6,14H2.
What are the key properties of 1-(3-bromo-1H-indol-4-yl)cyclobutan-1-amine?
1-(3-bromo-1H-indol-4-yl)cyclobutan-1-amine has a molecular weight of 265.15 g/mol, XLogP of 3.27, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-1H-indol-4-yl)cyclobutan-1-amine is sourced from PubChem (CID 117416509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).