1-(4-bromo-1-propan-2-ylindol-2-yl)-N,N-dimethylmethanamine

C14H19BrN2 — CID 117173714

IUPAC1-(4-bromo-1-propan-2-ylindol-2-yl)-N,N-dimethylmethanamine
SMILESCC(C)n1c(CN(C)C)cc2c(Br)cccc21
InChIInChI=1S/C14H19BrN2/c1-10(2)17-11(9-16(3)4)8-12-13(15)6-5-7-14(12)17/h5-8,10H,9H2,1-4H3
InChIKeyZTURFBYPOXFGLZ-UHFFFAOYSA-N
MW295.22 g/mol
LogP4.05
Rot. Bonds3

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

1-(4-bromo-1-propan-2-ylindol-2-yl)-N,N-dimethylmethanamine (PubChem CID 117173714) has the molecular formula C14H19BrN2 and a molecular weight of 295.22 g/mol. Its IUPAC name is 1-(4-bromo-1-propan-2-ylindol-2-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-1-propan-2-ylindol-2-yl)-N,N-dimethylmethanamine
PubChem CID117173714
Molecular FormulaC14H19BrN2
Molecular Weight295.22 g/mol
Exact Mass294.07
IUPAC Name1-(4-bromo-1-propan-2-ylindol-2-yl)-N,N-dimethylmethanamine
SMILESCC(C)n1c(CN(C)C)cc2c(Br)cccc21
InChIInChI=1S/C14H19BrN2/c1-10(2)17-11(9-16(3)4)8-12-13(15)6-5-7-14(12)17/h5-8,10H,9H2,1-4H3
InChIKeyZTURFBYPOXFGLZ-UHFFFAOYSA-N
XLogP4.05
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromo-1-propan-2-ylindol-2-yl)-N,N-dimethylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromo-1-methylindol-2-yl)-N,N-dimethylmethanamine
CID 117173114
4-bromo-2-(ethoxymethyl)-1-propan-2-ylindole
CID 117174060
2-(4-bromo-1-propan-2-ylindol-2-yl)acetaldehyde
CID 117194499
2-[(dimethylamino)methyl]-1-propan-2-ylindol-5-amine
CID 117177120
O-[(4-methyl-1-propan-2-ylindol-2-yl)methyl]hydroxylamine
CID 117194362
1-propan-2-yl-2-(propan-2-yloxymethyl)indol-4-ol
CID 117174039
4-chloro-2-(methoxymethyl)-1-propan-2-ylindole
CID 117174049
[1-propan-2-yl-2-(propan-2-yloxymethyl)indol-4-yl]methanamine
CID 117173654
2-(4-methyl-1-propan-2-ylindol-2-yl)acetaldehyde
CID 117194359
1-(4-fluoro-1-propan-2-ylindol-2-yl)-N-methylmethanamine
CID 117173709
4-bromo-2-iodo-1-(1,2,2-trifluoroethyl)indole
CID 175555491
2-methyl-1-(4-methyl-1-propan-2-ylindol-2-yl)propan-2-ol
CID 117120348

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-propan-2-ylindol-2-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(4-bromo-1-propan-2-ylindol-2-yl)-N,N-dimethylmethanamine (CID 117173714) is 1-(4-bromo-1-propan-2-ylindol-2-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(4-bromo-1-propan-2-ylindol-2-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(4-bromo-1-propan-2-ylindol-2-yl)-N,N-dimethylmethanamine is CC(C)n1c(CN(C)C)cc2c(Br)cccc21.
What is the InChIKey of 1-(4-bromo-1-propan-2-ylindol-2-yl)-N,N-dimethylmethanamine?
The InChIKey is ZTURFBYPOXFGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2/c1-10(2)17-11(9-16(3)4)8-12-13(15)6-5-7-14(12)17/h5-8,10H,9H2,1-4H3.
What are the key properties of 1-(4-bromo-1-propan-2-ylindol-2-yl)-N,N-dimethylmethanamine?
1-(4-bromo-1-propan-2-ylindol-2-yl)-N,N-dimethylmethanamine has a molecular weight of 295.22 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-propan-2-ylindol-2-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 117173714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).