7-bromo-N,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]indol-2-amine

C13H15BrN2 — CID 84743385

IUPAC7-bromo-N,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]indol-2-amine
SMILESCNC1Cc2c(n(C)c3ccc(Br)cc23)C1
InChIInChI=1S/C13H15BrN2/c1-15-9-6-11-10-5-8(14)3-4-12(10)16(2)13(11)7-9/h3-5,9,15H,6-7H2,1-2H3
InChIKeyUVNKOTMXOOGMJS-UHFFFAOYSA-N
MW279.18 g/mol
LogP2.63
Rot. Bonds1

About 7-bromo-N,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]indol-2-amine

7-bromo-N,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]indol-2-amine (PubChem CID 84743385) has the molecular formula C13H15BrN2 and a molecular weight of 279.18 g/mol. Its IUPAC name is 7-bromo-N,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]indol-2-amine.

Molecular Properties

Compound Name7-bromo-N,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]indol-2-amine
PubChem CID84743385
Molecular FormulaC13H15BrN2
Molecular Weight279.18 g/mol
Exact Mass278.04
IUPAC Name7-bromo-N,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]indol-2-amine
SMILESCNC1Cc2c(n(C)c3ccc(Br)cc23)C1
InChIInChI=1S/C13H15BrN2/c1-15-9-6-11-10-5-8(14)3-4-12(10)16(2)13(11)7-9/h3-5,9,15H,6-7H2,1-2H3
InChIKeyUVNKOTMXOOGMJS-UHFFFAOYSA-N
XLogP2.63
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

5-Bromotryptamine
CID 77158
6-bromo-1H,2H,3H,4H,9H-pyrido(3,4-b)indole
CID 14680201
7-Bromo-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 700805
Indole, 5-bromo-3-(dimethylamino)methyl-
CID 13249
(R,S)-1-(5-bromo-1H-indol-1-yl)propan-2-amine
CID 10753358
6-Bromo-4,9-dihydro-3H-beta-carboline
CID 42281505
5-Bromo-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 2763724
N-[2-(5-bromo-1H-indol-3-yl)ethyl]-N-prop-2-enylprop-2-en-1-amine
CID 127036953
5-Bromo-N,N-Dimethyltryptamine
CID 360252
8-Bromo-2,3,4,5-tetrahydro-2-methyl-1H-pyrido(4,3-b)indole
CID 199816
3,6-Dibromo-9-ethylcarbazole
CID 631855
{3-[2-(3-Bromo-phenyl)-1H-indol-3-yl]-propyl}-dimethyl-amine
CID 10383682

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]indol-2-amine?
The IUPAC name of 7-bromo-N,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]indol-2-amine (CID 84743385) is 7-bromo-N,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]indol-2-amine.
What is the SMILES notation for 7-bromo-N,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]indol-2-amine?
The canonical SMILES for 7-bromo-N,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]indol-2-amine is CNC1Cc2c(n(C)c3ccc(Br)cc23)C1.
What is the InChIKey of 7-bromo-N,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]indol-2-amine?
The InChIKey is UVNKOTMXOOGMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2/c1-15-9-6-11-10-5-8(14)3-4-12(10)16(2)13(11)7-9/h3-5,9,15H,6-7H2,1-2H3.
What are the key properties of 7-bromo-N,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]indol-2-amine?
7-bromo-N,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]indol-2-amine has a molecular weight of 279.18 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]indol-2-amine is sourced from PubChem (CID 84743385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).