1-(7-bromo-1-propan-2-ylindol-3-yl)-N-methylmethanamine

C13H17BrN2 — CID 117182310

IUPAC1-(7-bromo-1-propan-2-ylindol-3-yl)-N-methylmethanamine
SMILESCNCc1cn(C(C)C)c2c(Br)cccc12
InChIInChI=1S/C13H17BrN2/c1-9(2)16-8-10(7-15-3)11-5-4-6-12(14)13(11)16/h4-6,8-9,15H,7H2,1-3H3
InChIKeyQDFZRJUTGMHBSM-UHFFFAOYSA-N
MW281.20 g/mol
LogP3.70
Rot. Bonds3

About 1-(7-bromo-1-propan-2-ylindol-3-yl)-N-methylmethanamine

1-(7-bromo-1-propan-2-ylindol-3-yl)-N-methylmethanamine (PubChem CID 117182310) has the molecular formula C13H17BrN2 and a molecular weight of 281.20 g/mol. Its IUPAC name is 1-(7-bromo-1-propan-2-ylindol-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(7-bromo-1-propan-2-ylindol-3-yl)-N-methylmethanamine
PubChem CID117182310
Molecular FormulaC13H17BrN2
Molecular Weight281.20 g/mol
Exact Mass280.06
IUPAC Name1-(7-bromo-1-propan-2-ylindol-3-yl)-N-methylmethanamine
SMILESCNCc1cn(C(C)C)c2c(Br)cccc12
InChIInChI=1S/C13H17BrN2/c1-9(2)16-8-10(7-15-3)11-5-4-6-12(14)13(11)16/h4-6,8-9,15H,7H2,1-3H3
InChIKeyQDFZRJUTGMHBSM-UHFFFAOYSA-N
XLogP3.70
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.20
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(methylaminomethyl)-1-propan-2-ylindol-7-yl]methanamine
CID 117182192
2-(7-bromo-1-propan-2-ylindol-3-yl)ethanol
CID 117197647
7-bromo-3-(ethoxymethyl)-1-propan-2-ylindole
CID 117182588
1-propan-2-yl-3-[(propan-2-ylamino)methyl]indol-7-amine
CID 117182558
3-(hydroxymethyl)-1-propan-2-ylindol-7-ol
CID 117182602
1-(7-methoxy-1-methylindol-3-yl)-N-methylmethanamine
CID 22139134
1-(7-bromo-1-methylindol-3-yl)propan-2-ol
CID 83675918
8-bromo-4-oxo-1-propan-2-ylquinoline-3-carboxylic acid
CID 82252685
[3-[(dimethylamino)methyl]-1-propan-2-ylindol-7-yl]methanamine
CID 117182193
1-[3-bromo-2-(2-methylpropoxy)phenyl]-N-methylmethanamine
CID 61389671
1-(3-bromo-1-methylindazol-7-yl)-N-methylmethanamine
CID 83900931
1-(7-bromo-1-methylindol-3-yl)-N-methylethanamine
CID 117197621

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-1-propan-2-ylindol-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(7-bromo-1-propan-2-ylindol-3-yl)-N-methylmethanamine (CID 117182310) is 1-(7-bromo-1-propan-2-ylindol-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(7-bromo-1-propan-2-ylindol-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(7-bromo-1-propan-2-ylindol-3-yl)-N-methylmethanamine is CNCc1cn(C(C)C)c2c(Br)cccc12.
What is the InChIKey of 1-(7-bromo-1-propan-2-ylindol-3-yl)-N-methylmethanamine?
The InChIKey is QDFZRJUTGMHBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2/c1-9(2)16-8-10(7-15-3)11-5-4-6-12(14)13(11)16/h4-6,8-9,15H,7H2,1-3H3.
What are the key properties of 1-(7-bromo-1-propan-2-ylindol-3-yl)-N-methylmethanamine?
1-(7-bromo-1-propan-2-ylindol-3-yl)-N-methylmethanamine has a molecular weight of 281.20 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-1-propan-2-ylindol-3-yl)-N-methylmethanamine is sourced from PubChem (CID 117182310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).