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

C11H13BrN2 — CID 76846624

IUPAC2-(7-bromo-1H-indol-3-yl)propan-1-amine
SMILESCC(CN)c1c[nH]c2c(Br)cccc12
InChIInChI=1S/C11H13BrN2/c1-7(5-13)9-6-14-11-8(9)3-2-4-10(11)12/h2-4,6-7,14H,5,13H2,1H3
InChIKeyXCNGLBVZBWJDNV-UHFFFAOYSA-N
MW253.14 g/mol
LogP2.99
Rot. Bonds2

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

2-(7-bromo-1H-indol-3-yl)propan-1-amine (PubChem CID 76846624) has the molecular formula C11H13BrN2 and a molecular weight of 253.14 g/mol. Its IUPAC name is 2-(7-bromo-1H-indol-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-(7-bromo-1H-indol-3-yl)propan-1-amine
PubChem CID76846624
Molecular FormulaC11H13BrN2
Molecular Weight253.14 g/mol
Exact Mass252.03
IUPAC Name2-(7-bromo-1H-indol-3-yl)propan-1-amine
SMILESCC(CN)c1c[nH]c2c(Br)cccc12
InChIInChI=1S/C11H13BrN2/c1-7(5-13)9-6-14-11-8(9)3-2-4-10(11)12/h2-4,6-7,14H,5,13H2,1H3
InChIKeyXCNGLBVZBWJDNV-UHFFFAOYSA-N
XLogP2.99
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.14
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

7-bromo-3-pentan-2-yl-1H-indole
CID 106985623
2-amino-1-(7-bromo-1H-indol-3-yl)ethanol
CID 76846683
7-bromo-3-propan-2-yl-1H-indole
CID 106985591
7-bromo-3-(2-methylpentan-3-yl)-1H-indole
CID 106985203
2-(1H-indol-3-yl)propan-1-amine
CID 6452095
7-bromo-3-(1,2,2-trifluoroethyl)-1H-indole
CID 175467087
2-(1H-indol-3-yl)propan-1-amine;hydrochloride
CID 11970278
2-(3-chloro-1H-indol-7-yl)propan-1-amine
CID 117298104
2-(3-bromo-1H-indol-4-yl)propan-1-amine
CID 83900751
(1S)-1-(7-ethyl-1H-indol-3-yl)-N,N-dimethylethane-1,2-diamine
CID 96599431
7-bromo-3-tert-butyl-1H-indole
CID 106985255
7-chloro-3-[1-(7-chloro-1H-indol-3-yl)ethyl]-1H-indole
CID 102233204

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-1H-indol-3-yl)propan-1-amine?
The IUPAC name of 2-(7-bromo-1H-indol-3-yl)propan-1-amine (CID 76846624) is 2-(7-bromo-1H-indol-3-yl)propan-1-amine.
What is the SMILES notation for 2-(7-bromo-1H-indol-3-yl)propan-1-amine?
The canonical SMILES for 2-(7-bromo-1H-indol-3-yl)propan-1-amine is CC(CN)c1c[nH]c2c(Br)cccc12.
What is the InChIKey of 2-(7-bromo-1H-indol-3-yl)propan-1-amine?
The InChIKey is XCNGLBVZBWJDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2/c1-7(5-13)9-6-14-11-8(9)3-2-4-10(11)12/h2-4,6-7,14H,5,13H2,1H3.
What are the key properties of 2-(7-bromo-1H-indol-3-yl)propan-1-amine?
2-(7-bromo-1H-indol-3-yl)propan-1-amine has a molecular weight of 253.14 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-1H-indol-3-yl)propan-1-amine is sourced from PubChem (CID 76846624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).