2-(3-bromo-5-propan-2-yl-1H-indol-2-yl)-N-methylethanamine

C14H19BrN2 — CID 84644203

IUPAC2-(3-bromo-5-propan-2-yl-1H-indol-2-yl)-N-methylethanamine
SMILESCNCCc1[nH]c2ccc(C(C)C)cc2c1Br
InChIInChI=1S/C14H19BrN2/c1-9(2)10-4-5-12-11(8-10)14(15)13(17-12)6-7-16-3/h4-5,8-9,16-17H,6-7H2,1-3H3
InChIKeySISKVCKPQHMYNS-UHFFFAOYSA-N
MW295.22 g/mol
LogP3.82
Rot. Bonds4

About 2-(3-bromo-5-propan-2-yl-1H-indol-2-yl)-N-methylethanamine

2-(3-bromo-5-propan-2-yl-1H-indol-2-yl)-N-methylethanamine (PubChem CID 84644203) has the molecular formula C14H19BrN2 and a molecular weight of 295.22 g/mol. Its IUPAC name is 2-(3-bromo-5-propan-2-yl-1H-indol-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-bromo-5-propan-2-yl-1H-indol-2-yl)-N-methylethanamine
PubChem CID84644203
Molecular FormulaC14H19BrN2
Molecular Weight295.22 g/mol
Exact Mass294.07
IUPAC Name2-(3-bromo-5-propan-2-yl-1H-indol-2-yl)-N-methylethanamine
SMILESCNCCc1[nH]c2ccc(C(C)C)cc2c1Br
InChIInChI=1S/C14H19BrN2/c1-9(2)10-4-5-12-11(8-10)14(15)13(17-12)6-7-16-3/h4-5,8-9,16-17H,6-7H2,1-3H3
InChIKeySISKVCKPQHMYNS-UHFFFAOYSA-N
XLogP3.82
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromo-5-propan-2-yl-1H-indol-2-yl)ethanamine
CID 84642829
N-methyl-1-(3-methyl-5-propan-2-yl-1H-indol-2-yl)methanamine
CID 84622421
(3-methyl-5-propan-2-yl-1H-indol-2-yl)methanol
CID 84620017
6-propan-2-yl-1H-3,1-benzoxazine-2,4-dithione
CID 54452727
1-(3-bromo-5-ethyl-1H-indol-2-yl)-N-methylmethanamine
CID 84640380
2-(3-bromo-5-methoxy-1H-indol-2-yl)ethanamine
CID 84641076
3-(5-bromo-3-methyl-1H-indol-2-yl)-N-methylpropan-1-amine
CID 84642820
4-(2-hydroxyethyl)-6-propan-2-yl-1H-quinolin-2-one
CID 19379677
2-(5-tert-butyl-2-propan-2-yl-1H-indol-3-yl)-N-methylethanamine
CID 84743209
2-(5-methoxy-2-propan-2-yl-1H-indol-3-yl)-N-methylethanamine
CID 84741788
2-methyl-3-(2-methylpropyl)-5-propan-2-yl-1H-indole
CID 102497800
(3-bromo-5-methoxy-1H-indol-2-yl)methanol
CID 115047680

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-propan-2-yl-1H-indol-2-yl)-N-methylethanamine?
The IUPAC name of 2-(3-bromo-5-propan-2-yl-1H-indol-2-yl)-N-methylethanamine (CID 84644203) is 2-(3-bromo-5-propan-2-yl-1H-indol-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(3-bromo-5-propan-2-yl-1H-indol-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(3-bromo-5-propan-2-yl-1H-indol-2-yl)-N-methylethanamine is CNCCc1[nH]c2ccc(C(C)C)cc2c1Br.
What is the InChIKey of 2-(3-bromo-5-propan-2-yl-1H-indol-2-yl)-N-methylethanamine?
The InChIKey is SISKVCKPQHMYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2/c1-9(2)10-4-5-12-11(8-10)14(15)13(17-12)6-7-16-3/h4-5,8-9,16-17H,6-7H2,1-3H3.
What are the key properties of 2-(3-bromo-5-propan-2-yl-1H-indol-2-yl)-N-methylethanamine?
2-(3-bromo-5-propan-2-yl-1H-indol-2-yl)-N-methylethanamine has a molecular weight of 295.22 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-propan-2-yl-1H-indol-2-yl)-N-methylethanamine is sourced from PubChem (CID 84644203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).