1-(6-bromo-1-propan-2-ylindol-3-yl)-N-methylethanamine

C14H19BrN2 — CID 117196328

IUPAC1-(6-bromo-1-propan-2-ylindol-3-yl)-N-methylethanamine
SMILESCNC(C)c1cn(C(C)C)c2cc(Br)ccc12
InChIInChI=1S/C14H19BrN2/c1-9(2)17-8-13(10(3)16-4)12-6-5-11(15)7-14(12)17/h5-10,16H,1-4H3
InChIKeyUWQYIDOBNIFATG-UHFFFAOYSA-N
MW295.22 g/mol
LogP4.27
Rot. Bonds3

About 1-(6-bromo-1-propan-2-ylindol-3-yl)-N-methylethanamine

1-(6-bromo-1-propan-2-ylindol-3-yl)-N-methylethanamine (PubChem CID 117196328) has the molecular formula C14H19BrN2 and a molecular weight of 295.22 g/mol. Its IUPAC name is 1-(6-bromo-1-propan-2-ylindol-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(6-bromo-1-propan-2-ylindol-3-yl)-N-methylethanamine
PubChem CID117196328
Molecular FormulaC14H19BrN2
Molecular Weight295.22 g/mol
Exact Mass294.07
IUPAC Name1-(6-bromo-1-propan-2-ylindol-3-yl)-N-methylethanamine
SMILESCNC(C)c1cn(C(C)C)c2cc(Br)ccc12
InChIInChI=1S/C14H19BrN2/c1-9(2)17-8-13(10(3)16-4)12-6-5-11(15)7-14(12)17/h5-10,16H,1-4H3
InChIKeyUWQYIDOBNIFATG-UHFFFAOYSA-N
XLogP4.27
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 ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-chloro-1-propan-2-ylindol-3-yl)-N-methylethanamine
CID 117196326
3-[1-(methylamino)ethyl]-1-propan-2-ylindol-5-ol
CID 117195703
N-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)indol-3-yl]ethanamine
CID 117195462
6-bromo-3-(methylsulfanylmethyl)-1-propan-2-ylindole
CID 117179121
O-[(6-bromo-1-propan-2-ylindol-3-yl)methyl]hydroxylamine
CID 117196322
6-bromo-1-methyl-3-propan-2-ylindole
CID 115046928
3-[1-(methylamino)ethyl]-1-propan-2-ylindol-7-ol
CID 117197935
3-[1-(methylamino)ethyl]-1-propan-2-ylindol-4-ol
CID 117195037
6-bromo-N-(2-methoxyethyl)-1-propan-2-ylindole-3-carboxamide
CID 172674648
1-[5-bromo-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine
CID 66152678
1-[5-bromo-2-(4-methylpyrazol-1-yl)phenyl]-N-methylethanamine
CID 82967843
4-bromo-N-methyl-2-[1-(methylamino)ethyl]-N-phenylaniline
CID 82972017

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-1-propan-2-ylindol-3-yl)-N-methylethanamine?
The IUPAC name of 1-(6-bromo-1-propan-2-ylindol-3-yl)-N-methylethanamine (CID 117196328) is 1-(6-bromo-1-propan-2-ylindol-3-yl)-N-methylethanamine.
What is the SMILES notation for 1-(6-bromo-1-propan-2-ylindol-3-yl)-N-methylethanamine?
The canonical SMILES for 1-(6-bromo-1-propan-2-ylindol-3-yl)-N-methylethanamine is CNC(C)c1cn(C(C)C)c2cc(Br)ccc12.
What is the InChIKey of 1-(6-bromo-1-propan-2-ylindol-3-yl)-N-methylethanamine?
The InChIKey is UWQYIDOBNIFATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2/c1-9(2)17-8-13(10(3)16-4)12-6-5-11(15)7-14(12)17/h5-10,16H,1-4H3.
What are the key properties of 1-(6-bromo-1-propan-2-ylindol-3-yl)-N-methylethanamine?
1-(6-bromo-1-propan-2-ylindol-3-yl)-N-methylethanamine has a molecular weight of 295.22 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-1-propan-2-ylindol-3-yl)-N-methylethanamine is sourced from PubChem (CID 117196328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).