3-(2-aminoethyl)-5-bromo-N,N-dimethyl-1H-indol-2-amine

C12H16BrN3 — CID 170868928

IUPAC3-(2-aminoethyl)-5-bromo-N,N-dimethyl-1H-indol-2-amine
SMILESCN(C)c1[nH]c2ccc(Br)cc2c1CCN
InChIInChI=1S/C12H16BrN3/c1-16(2)12-9(5-6-14)10-7-8(13)3-4-11(10)15-12/h3-4,7,15H,5-6,14H2,1-2H3
InChIKeyUBBJITOWBJCULT-UHFFFAOYSA-N
MW282.19 g/mol
LogP2.50
Rot. Bonds3

About 3-(2-aminoethyl)-5-bromo-N,N-dimethyl-1H-indol-2-amine

3-(2-aminoethyl)-5-bromo-N,N-dimethyl-1H-indol-2-amine (PubChem CID 170868928) has the molecular formula C12H16BrN3 and a molecular weight of 282.19 g/mol. Its IUPAC name is 3-(2-aminoethyl)-5-bromo-N,N-dimethyl-1H-indol-2-amine.

Molecular Properties

Compound Name3-(2-aminoethyl)-5-bromo-N,N-dimethyl-1H-indol-2-amine
PubChem CID170868928
Molecular FormulaC12H16BrN3
Molecular Weight282.19 g/mol
Exact Mass281.05
IUPAC Name3-(2-aminoethyl)-5-bromo-N,N-dimethyl-1H-indol-2-amine
SMILESCN(C)c1[nH]c2ccc(Br)cc2c1CCN
InChIInChI=1S/C12H16BrN3/c1-16(2)12-9(5-6-14)10-7-8(13)3-4-11(10)15-12/h3-4,7,15H,5-6,14H2,1-2H3
InChIKeyUBBJITOWBJCULT-UHFFFAOYSA-N
XLogP2.50
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.19
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-ethyl-1H-indol-3-yl)methanamine
CID 83678398
4-(5-bromo-2-methyl-1H-indol-3-yl)butan-2-amine
CID 82502209
2-(5-bromo-1H-indol-3-yl)ethanamine;methane
CID 139467696
[5-bromo-2-(trifluoromethyl)-1H-indol-3-yl]methanamine
CID 84643873
4-[5-bromo-2-(3,4-dichlorophenyl)-1H-indol-3-yl]butan-1-amine
CID 4039818
4-[5-bromo-2-(2-methoxy-3-pyridinyl)-1H-indol-3-yl]butan-1-amine
CID 3982849
5-bromo-3-pentyl-2-phenyl-1H-indole
CID 68813934
2-(5-bromo-2-methyl-1H-indol-3-yl)propan-1-amine
CID 82501769
4-[2-(4-bromophenyl)-5-iodo-1H-indol-3-yl]butan-1-amine
CID 4021265
2-[5-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]ethanamine
CID 84632127
2-[5-[(2R)-butan-2-yl]-2-methyl-1H-indol-3-yl]ethanamine
CID 1381973
3-(5-bromo-3-methyl-1H-indol-2-yl)-N-methylpropan-1-amine
CID 84642820

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-5-bromo-N,N-dimethyl-1H-indol-2-amine?
The IUPAC name of 3-(2-aminoethyl)-5-bromo-N,N-dimethyl-1H-indol-2-amine (CID 170868928) is 3-(2-aminoethyl)-5-bromo-N,N-dimethyl-1H-indol-2-amine.
What is the SMILES notation for 3-(2-aminoethyl)-5-bromo-N,N-dimethyl-1H-indol-2-amine?
The canonical SMILES for 3-(2-aminoethyl)-5-bromo-N,N-dimethyl-1H-indol-2-amine is CN(C)c1[nH]c2ccc(Br)cc2c1CCN.
What is the InChIKey of 3-(2-aminoethyl)-5-bromo-N,N-dimethyl-1H-indol-2-amine?
The InChIKey is UBBJITOWBJCULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3/c1-16(2)12-9(5-6-14)10-7-8(13)3-4-11(10)15-12/h3-4,7,15H,5-6,14H2,1-2H3.
What are the key properties of 3-(2-aminoethyl)-5-bromo-N,N-dimethyl-1H-indol-2-amine?
3-(2-aminoethyl)-5-bromo-N,N-dimethyl-1H-indol-2-amine has a molecular weight of 282.19 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-5-bromo-N,N-dimethyl-1H-indol-2-amine is sourced from PubChem (CID 170868928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).