(4-bromo-2-propan-2-yl-1H-indol-3-yl)methanamine

C12H15BrN2 — CID 84711874

IUPAC(4-bromo-2-propan-2-yl-1H-indol-3-yl)methanamine
SMILESCC(C)c1[nH]c2cccc(Br)c2c1CN
InChIInChI=1S/C12H15BrN2/c1-7(2)12-8(6-14)11-9(13)4-3-5-10(11)15-12/h3-5,7,15H,6,14H2,1-2H3
InChIKeyBPPHLJNMKAINMA-UHFFFAOYSA-N
MW267.17 g/mol
LogP3.51
Rot. Bonds2

About (4-bromo-2-propan-2-yl-1H-indol-3-yl)methanamine

(4-bromo-2-propan-2-yl-1H-indol-3-yl)methanamine (PubChem CID 84711874) has the molecular formula C12H15BrN2 and a molecular weight of 267.17 g/mol. Its IUPAC name is (4-bromo-2-propan-2-yl-1H-indol-3-yl)methanamine.

Molecular Properties

Compound Name(4-bromo-2-propan-2-yl-1H-indol-3-yl)methanamine
PubChem CID84711874
Molecular FormulaC12H15BrN2
Molecular Weight267.17 g/mol
Exact Mass266.04
IUPAC Name(4-bromo-2-propan-2-yl-1H-indol-3-yl)methanamine
SMILESCC(C)c1[nH]c2cccc(Br)c2c1CN
InChIInChI=1S/C12H15BrN2/c1-7(2)12-8(6-14)11-9(13)4-3-5-10(11)15-12/h3-5,7,15H,6,14H2,1-2H3
InChIKeyBPPHLJNMKAINMA-UHFFFAOYSA-N
XLogP3.51
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-propan-2-yl-1H-indol-3-yl)methanamine?
The IUPAC name of (4-bromo-2-propan-2-yl-1H-indol-3-yl)methanamine (CID 84711874) is (4-bromo-2-propan-2-yl-1H-indol-3-yl)methanamine.
What is the SMILES notation for (4-bromo-2-propan-2-yl-1H-indol-3-yl)methanamine?
The canonical SMILES for (4-bromo-2-propan-2-yl-1H-indol-3-yl)methanamine is CC(C)c1[nH]c2cccc(Br)c2c1CN.
What is the InChIKey of (4-bromo-2-propan-2-yl-1H-indol-3-yl)methanamine?
The InChIKey is BPPHLJNMKAINMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2/c1-7(2)12-8(6-14)11-9(13)4-3-5-10(11)15-12/h3-5,7,15H,6,14H2,1-2H3.
What are the key properties of (4-bromo-2-propan-2-yl-1H-indol-3-yl)methanamine?
(4-bromo-2-propan-2-yl-1H-indol-3-yl)methanamine has a molecular weight of 267.17 g/mol, XLogP of 3.51, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-propan-2-yl-1H-indol-3-yl)methanamine is sourced from PubChem (CID 84711874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).