1-(5-bromo-1-methyl-3-propan-2-ylindol-2-yl)-N-methylmethanamine

C14H19BrN2 — CID 84644195

IUPAC1-(5-bromo-1-methyl-3-propan-2-ylindol-2-yl)-N-methylmethanamine
SMILESCNCc1c(C(C)C)c2cc(Br)ccc2n1C
InChIInChI=1S/C14H19BrN2/c1-9(2)14-11-7-10(15)5-6-12(11)17(4)13(14)8-16-3/h5-7,9,16H,8H2,1-4H3
InChIKeyRNYQTCPAHWUDMF-UHFFFAOYSA-N
MW295.22 g/mol
LogP3.78
Rot. Bonds3

About 1-(5-bromo-1-methyl-3-propan-2-ylindol-2-yl)-N-methylmethanamine

1-(5-bromo-1-methyl-3-propan-2-ylindol-2-yl)-N-methylmethanamine (PubChem CID 84644195) has the molecular formula C14H19BrN2 and a molecular weight of 295.22 g/mol. Its IUPAC name is 1-(5-bromo-1-methyl-3-propan-2-ylindol-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromo-1-methyl-3-propan-2-ylindol-2-yl)-N-methylmethanamine
PubChem CID84644195
Molecular FormulaC14H19BrN2
Molecular Weight295.22 g/mol
Exact Mass294.07
IUPAC Name1-(5-bromo-1-methyl-3-propan-2-ylindol-2-yl)-N-methylmethanamine
SMILESCNCc1c(C(C)C)c2cc(Br)ccc2n1C
InChIInChI=1S/C14H19BrN2/c1-9(2)14-11-7-10(15)5-6-12(11)17(4)13(14)8-16-3/h5-7,9,16H,8H2,1-4H3
InChIKeyRNYQTCPAHWUDMF-UHFFFAOYSA-N
XLogP3.78
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromo-1,3-dimethylindol-2-yl)-N-methylmethanamine
CID 83866982
1-(6-bromo-1-methyl-2-propan-2-ylindol-3-yl)-N-methylmethanamine
CID 84743930
2-(5-bromo-1,2-dimethylindol-3-yl)-N-methylethanamine
CID 82502211
1-(5-chloro-1,3-dimethylindol-2-yl)-N-methylmethanamine
CID 83868331
1-(3-bromo-6-chloro-1-methylindol-2-yl)-N-methylmethanamine
CID 84643740
7-bromo-N,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]indol-2-amine
CID 84743385
1-(3-bromo-1,2-dimethylindol-5-yl)-N-methylmethanamine
CID 84711896
(1-methyl-3-propan-2-ylindol-2-yl)methanamine
CID 83916240
6-bromo-3-(2-hydroxypropyl)-1-methylquinazoline-2,4-dione
CID 117262431
5-bromo-1-methyl-3-[(4-propan-2-ylphenyl)methyl]indole
CID 26367659
2-(3-bromo-1,5-dimethylindol-2-yl)-N-methylethanamine
CID 84642807
6-bromo-3-iodo-1,4-dimethylquinolin-2-one
CID 146585096

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1-methyl-3-propan-2-ylindol-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromo-1-methyl-3-propan-2-ylindol-2-yl)-N-methylmethanamine (CID 84644195) is 1-(5-bromo-1-methyl-3-propan-2-ylindol-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromo-1-methyl-3-propan-2-ylindol-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromo-1-methyl-3-propan-2-ylindol-2-yl)-N-methylmethanamine is CNCc1c(C(C)C)c2cc(Br)ccc2n1C.
What is the InChIKey of 1-(5-bromo-1-methyl-3-propan-2-ylindol-2-yl)-N-methylmethanamine?
The InChIKey is RNYQTCPAHWUDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2/c1-9(2)14-11-7-10(15)5-6-12(11)17(4)13(14)8-16-3/h5-7,9,16H,8H2,1-4H3.
What are the key properties of 1-(5-bromo-1-methyl-3-propan-2-ylindol-2-yl)-N-methylmethanamine?
1-(5-bromo-1-methyl-3-propan-2-ylindol-2-yl)-N-methylmethanamine has a molecular weight of 295.22 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1-methyl-3-propan-2-ylindol-2-yl)-N-methylmethanamine is sourced from PubChem (CID 84644195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).