[1-(7-bromo-1H-indol-3-yl)cyclopropyl]methanamine

C12H13BrN2 — CID 82501566

IUPAC[1-(7-bromo-1H-indol-3-yl)cyclopropyl]methanamine
SMILESNCC1(c2c[nH]c3c(Br)cccc23)CC1
InChIInChI=1S/C12H13BrN2/c13-10-3-1-2-8-9(6-15-11(8)10)12(7-14)4-5-12/h1-3,6,15H,4-5,7,14H2
InChIKeySTWIDSJZQDJHAS-UHFFFAOYSA-N
MW265.15 g/mol
LogP2.92
Rot. Bonds2

About [1-(7-bromo-1H-indol-3-yl)cyclopropyl]methanamine

[1-(7-bromo-1H-indol-3-yl)cyclopropyl]methanamine (PubChem CID 82501566) has the molecular formula C12H13BrN2 and a molecular weight of 265.15 g/mol. Its IUPAC name is [1-(7-bromo-1H-indol-3-yl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(7-bromo-1H-indol-3-yl)cyclopropyl]methanamine
PubChem CID82501566
Molecular FormulaC12H13BrN2
Molecular Weight265.15 g/mol
Exact Mass264.03
IUPAC Name[1-(7-bromo-1H-indol-3-yl)cyclopropyl]methanamine
SMILESNCC1(c2c[nH]c3c(Br)cccc23)CC1
InChIInChI=1S/C12H13BrN2/c13-10-3-1-2-8-9(6-15-11(8)10)12(7-14)4-5-12/h1-3,6,15H,4-5,7,14H2
InChIKeySTWIDSJZQDJHAS-UHFFFAOYSA-N
XLogP2.92
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [1-(7-bromo-1H-indol-3-yl)cyclopropyl]methanamine?
The IUPAC name of [1-(7-bromo-1H-indol-3-yl)cyclopropyl]methanamine (CID 82501566) is [1-(7-bromo-1H-indol-3-yl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(7-bromo-1H-indol-3-yl)cyclopropyl]methanamine?
The canonical SMILES for [1-(7-bromo-1H-indol-3-yl)cyclopropyl]methanamine is NCC1(c2c[nH]c3c(Br)cccc23)CC1.
What is the InChIKey of [1-(7-bromo-1H-indol-3-yl)cyclopropyl]methanamine?
The InChIKey is STWIDSJZQDJHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2/c13-10-3-1-2-8-9(6-15-11(8)10)12(7-14)4-5-12/h1-3,6,15H,4-5,7,14H2.
What are the key properties of [1-(7-bromo-1H-indol-3-yl)cyclopropyl]methanamine?
[1-(7-bromo-1H-indol-3-yl)cyclopropyl]methanamine has a molecular weight of 265.15 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-bromo-1H-indol-3-yl)cyclopropyl]methanamine is sourced from PubChem (CID 82501566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).