N-[(3-bromo-1,5-dimethylindol-2-yl)methyl]cyclopropanamine

C14H17BrN2 — CID 84643930

IUPACN-[(3-bromo-1,5-dimethylindol-2-yl)methyl]cyclopropanamine
SMILESCc1ccc2c(c1)c(Br)c(CNC1CC1)n2C
InChIInChI=1S/C14H17BrN2/c1-9-3-6-12-11(7-9)14(15)13(17(12)2)8-16-10-4-5-10/h3,6-7,10,16H,4-5,8H2,1-2H3
InChIKeyRCFAUKNFAHBPHC-UHFFFAOYSA-N
MW293.21 g/mol
LogP3.50
Rot. Bonds3

About N-[(3-bromo-1,5-dimethylindol-2-yl)methyl]cyclopropanamine

N-[(3-bromo-1,5-dimethylindol-2-yl)methyl]cyclopropanamine (PubChem CID 84643930) has the molecular formula C14H17BrN2 and a molecular weight of 293.21 g/mol. Its IUPAC name is N-[(3-bromo-1,5-dimethylindol-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3-bromo-1,5-dimethylindol-2-yl)methyl]cyclopropanamine
PubChem CID84643930
Molecular FormulaC14H17BrN2
Molecular Weight293.21 g/mol
Exact Mass292.06
IUPAC NameN-[(3-bromo-1,5-dimethylindol-2-yl)methyl]cyclopropanamine
SMILESCc1ccc2c(c1)c(Br)c(CNC1CC1)n2C
InChIInChI=1S/C14H17BrN2/c1-9-3-6-12-11(7-9)14(15)13(17(12)2)8-16-10-4-5-10/h3,6-7,10,16H,4-5,8H2,1-2H3
InChIKeyRCFAUKNFAHBPHC-UHFFFAOYSA-N
XLogP3.50
TPSA16.96 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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromo-7-methoxy-1,5-dimethylindol-2-yl)methyl]cyclopropanamine
CID 84646070
4-[(1,3-dimethylindol-2-yl)methylamino]cyclohexan-1-ol
CID 107234607
3-bromo-2-ethyl-1,6-dimethylindole
CID 84707620
2-(3-cyclopropyl-1,5-dimethylindol-2-yl)ethanamine
CID 83918262
N-[(1,6-dimethylindol-3-yl)methyl]cyclopentanamine
CID 117185629
N-[(5-bromo-1-methylbenzimidazol-2-yl)methyl]cyclopropanamine
CID 60836537
N-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methyl]cyclopropanamine
CID 43624931
N-[2-(5-methylindol-1-yl)ethyl]cyclopropanamine
CID 63556204
N-methyl-2-(1,3,5-trimethylindol-2-yl)ethanamine
CID 84622406
N-[(3-methylphenyl)methyl]cyclopropanamine
CID 16776498
1-bromo-3,6,9-trimethylcarbazole
CID 174908796
4-[(cyclopropylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 115572535

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-1,5-dimethylindol-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(3-bromo-1,5-dimethylindol-2-yl)methyl]cyclopropanamine (CID 84643930) is N-[(3-bromo-1,5-dimethylindol-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3-bromo-1,5-dimethylindol-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3-bromo-1,5-dimethylindol-2-yl)methyl]cyclopropanamine is Cc1ccc2c(c1)c(Br)c(CNC1CC1)n2C.
What is the InChIKey of N-[(3-bromo-1,5-dimethylindol-2-yl)methyl]cyclopropanamine?
The InChIKey is RCFAUKNFAHBPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2/c1-9-3-6-12-11(7-9)14(15)13(17(12)2)8-16-10-4-5-10/h3,6-7,10,16H,4-5,8H2,1-2H3.
What are the key properties of N-[(3-bromo-1,5-dimethylindol-2-yl)methyl]cyclopropanamine?
N-[(3-bromo-1,5-dimethylindol-2-yl)methyl]cyclopropanamine has a molecular weight of 293.21 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-1,5-dimethylindol-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 84643930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).