1-(4-bromo-1-methylindol-2-yl)-N,N-dimethylmethanamine

C12H15BrN2 — CID 117173114

IUPAC1-(4-bromo-1-methylindol-2-yl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1cc2c(Br)cccc2n1C
InChIInChI=1S/C12H15BrN2/c1-14(2)8-9-7-10-11(13)5-4-6-12(10)15(9)3/h4-7H,8H2,1-3H3
InChIKeyCJLTZCXYIFUXPD-UHFFFAOYSA-N
MW267.17 g/mol
LogP3.00
Rot. Bonds2

About 1-(4-bromo-1-methylindol-2-yl)-N,N-dimethylmethanamine

1-(4-bromo-1-methylindol-2-yl)-N,N-dimethylmethanamine (PubChem CID 117173114) has the molecular formula C12H15BrN2 and a molecular weight of 267.17 g/mol. Its IUPAC name is 1-(4-bromo-1-methylindol-2-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-1-methylindol-2-yl)-N,N-dimethylmethanamine
PubChem CID117173114
Molecular FormulaC12H15BrN2
Molecular Weight267.17 g/mol
Exact Mass266.04
IUPAC Name1-(4-bromo-1-methylindol-2-yl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1cc2c(Br)cccc2n1C
InChIInChI=1S/C12H15BrN2/c1-14(2)8-9-7-10-11(13)5-4-6-12(10)15(9)3/h4-7H,8H2,1-3H3
InChIKeyCJLTZCXYIFUXPD-UHFFFAOYSA-N
XLogP3.00
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-1-propan-2-ylindol-2-yl)-N,N-dimethylmethanamine
CID 117173714
N,N-dimethyl-1-(9-methylcarbazol-3-yl)methanamine
CID 23264168
4-bromo-2-(1-fluoroethyl)-1-methylindole
CID 84708729
2-(4-bromo-1-methylindol-2-yl)-2-hydroxyacetic acid
CID 115071837
CID 174586539
CID 174586539
1-carbazol-9-yl-N,N-dimethylmethanamine;N,N-dimethyl-1-(9-methylcarbazol-3-yl)methanamine
CID 158535131
5-bromo-1-methyl-3-nitroquinolin-2-one
CID 162754059
(1,4-dimethylindol-2-yl)methanol
CID 117120333
2-(4-bromo-1-propan-2-ylindol-2-yl)acetaldehyde
CID 117194499
4-bromo-1-ethyl-2-(methylsulfonylmethyl)indole
CID 117173791
(4-chloro-1-methylindol-2-yl)methanamine
CID 82657147
(4-chloro-1-methylindol-2-yl)methanethiol
CID 117173500

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-methylindol-2-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(4-bromo-1-methylindol-2-yl)-N,N-dimethylmethanamine (CID 117173114) is 1-(4-bromo-1-methylindol-2-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(4-bromo-1-methylindol-2-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(4-bromo-1-methylindol-2-yl)-N,N-dimethylmethanamine is CN(C)Cc1cc2c(Br)cccc2n1C.
What is the InChIKey of 1-(4-bromo-1-methylindol-2-yl)-N,N-dimethylmethanamine?
The InChIKey is CJLTZCXYIFUXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2/c1-14(2)8-9-7-10-11(13)5-4-6-12(10)15(9)3/h4-7H,8H2,1-3H3.
What are the key properties of 1-(4-bromo-1-methylindol-2-yl)-N,N-dimethylmethanamine?
1-(4-bromo-1-methylindol-2-yl)-N,N-dimethylmethanamine has a molecular weight of 267.17 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-methylindol-2-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 117173114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).