1-(3-bromo-1H-indol-7-yl)-2-methylpropan-2-amine

C12H15BrN2 — CID 117421050

IUPAC1-(3-bromo-1H-indol-7-yl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1cccc2c(Br)c[nH]c12
InChIInChI=1S/C12H15BrN2/c1-12(2,14)6-8-4-3-5-9-10(13)7-15-11(8)9/h3-5,7,15H,6,14H2,1-2H3
InChIKeyJKJNTHTWCQEZGF-UHFFFAOYSA-N
MW267.17 g/mol
LogP3.21
Rot. Bonds2

About 1-(3-bromo-1H-indol-7-yl)-2-methylpropan-2-amine

1-(3-bromo-1H-indol-7-yl)-2-methylpropan-2-amine (PubChem CID 117421050) has the molecular formula C12H15BrN2 and a molecular weight of 267.17 g/mol. Its IUPAC name is 1-(3-bromo-1H-indol-7-yl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-1H-indol-7-yl)-2-methylpropan-2-amine
PubChem CID117421050
Molecular FormulaC12H15BrN2
Molecular Weight267.17 g/mol
Exact Mass266.04
IUPAC Name1-(3-bromo-1H-indol-7-yl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1cccc2c(Br)c[nH]c12
InChIInChI=1S/C12H15BrN2/c1-12(2,14)6-8-4-3-5-9-10(13)7-15-11(8)9/h3-5,7,15H,6,14H2,1-2H3
InChIKeyJKJNTHTWCQEZGF-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-1H-indol-7-yl)-N-methoxymethanamine
CID 117390328
1-(3-bromo-2-methoxyphenyl)-2-methylpropan-2-amine
CID 82623586
3-bromo-7-chloro-1H-indole
CID 2763282
3-bromo-7-(2-piperazin-1-ylethyl)-1H-indole
CID 117493145
7-bromo-3-tert-butyl-1H-indole
CID 106985255
3-(2-amino-2-methylpropyl)-1H-indol-5-amine;dihydrochloride
CID 174431068
2-(2-amino-2-methylpropyl)phenol
CID 22723438
1-(5,6-dimethyl-1H-indol-3-yl)-2-methylpropan-2-amine
CID 98010705
1-[2-fluoro-3-(methoxymethyl)phenyl]-2-methylpropan-2-amine
CID 117302099
2-(3-methyl-1H-indol-7-yl)ethanamine
CID 76846888
1-(2-tert-butylphenyl)-2-methylpropan-2-amine
CID 84778784
7-ethyl-3-methyl-1H-indole
CID 13271010

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-1H-indol-7-yl)-2-methylpropan-2-amine?
The IUPAC name of 1-(3-bromo-1H-indol-7-yl)-2-methylpropan-2-amine (CID 117421050) is 1-(3-bromo-1H-indol-7-yl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(3-bromo-1H-indol-7-yl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(3-bromo-1H-indol-7-yl)-2-methylpropan-2-amine is CC(C)(N)Cc1cccc2c(Br)c[nH]c12.
What is the InChIKey of 1-(3-bromo-1H-indol-7-yl)-2-methylpropan-2-amine?
The InChIKey is JKJNTHTWCQEZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2/c1-12(2,14)6-8-4-3-5-9-10(13)7-15-11(8)9/h3-5,7,15H,6,14H2,1-2H3.
What are the key properties of 1-(3-bromo-1H-indol-7-yl)-2-methylpropan-2-amine?
1-(3-bromo-1H-indol-7-yl)-2-methylpropan-2-amine has a molecular weight of 267.17 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-1H-indol-7-yl)-2-methylpropan-2-amine is sourced from PubChem (CID 117421050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).