1-[1-(6-bromo-1H-indol-3-yl)cyclopropyl]-N-methylmethanamine

C13H15BrN2 — CID 84642540

IUPAC1-[1-(6-bromo-1H-indol-3-yl)cyclopropyl]-N-methylmethanamine
SMILESCNCC1(c2c[nH]c3cc(Br)ccc23)CC1
InChIInChI=1S/C13H15BrN2/c1-15-8-13(4-5-13)11-7-16-12-6-9(14)2-3-10(11)12/h2-3,6-7,15-16H,4-5,8H2,1H3
InChIKeyUNDOHEHZHGHRMI-UHFFFAOYSA-N
MW279.18 g/mol
LogP3.18
Rot. Bonds3

About 1-[1-(6-bromo-1H-indol-3-yl)cyclopropyl]-N-methylmethanamine

1-[1-(6-bromo-1H-indol-3-yl)cyclopropyl]-N-methylmethanamine (PubChem CID 84642540) has the molecular formula C13H15BrN2 and a molecular weight of 279.18 g/mol. Its IUPAC name is 1-[1-(6-bromo-1H-indol-3-yl)cyclopropyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(6-bromo-1H-indol-3-yl)cyclopropyl]-N-methylmethanamine
PubChem CID84642540
Molecular FormulaC13H15BrN2
Molecular Weight279.18 g/mol
Exact Mass278.04
IUPAC Name1-[1-(6-bromo-1H-indol-3-yl)cyclopropyl]-N-methylmethanamine
SMILESCNCC1(c2c[nH]c3cc(Br)ccc23)CC1
InChIInChI=1S/C13H15BrN2/c1-15-8-13(4-5-13)11-7-16-12-6-9(14)2-3-10(11)12/h2-3,6-7,15-16H,4-5,8H2,1H3
InChIKeyUNDOHEHZHGHRMI-UHFFFAOYSA-N
XLogP3.18
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-bromo-1H-indol-3-yl)cyclopropyl]-N-methylmethanamine?
The IUPAC name of 1-[1-(6-bromo-1H-indol-3-yl)cyclopropyl]-N-methylmethanamine (CID 84642540) is 1-[1-(6-bromo-1H-indol-3-yl)cyclopropyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(6-bromo-1H-indol-3-yl)cyclopropyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(6-bromo-1H-indol-3-yl)cyclopropyl]-N-methylmethanamine is CNCC1(c2c[nH]c3cc(Br)ccc23)CC1.
What is the InChIKey of 1-[1-(6-bromo-1H-indol-3-yl)cyclopropyl]-N-methylmethanamine?
The InChIKey is UNDOHEHZHGHRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2/c1-15-8-13(4-5-13)11-7-16-12-6-9(14)2-3-10(11)12/h2-3,6-7,15-16H,4-5,8H2,1H3.
What are the key properties of 1-[1-(6-bromo-1H-indol-3-yl)cyclopropyl]-N-methylmethanamine?
1-[1-(6-bromo-1H-indol-3-yl)cyclopropyl]-N-methylmethanamine has a molecular weight of 279.18 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-bromo-1H-indol-3-yl)cyclopropyl]-N-methylmethanamine is sourced from PubChem (CID 84642540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).