7-bromo-9-methyl-1,2,3,4-tetrahydrocarbazol-1-amine

C13H15BrN2 — CID 84642534

IUPAC7-bromo-9-methyl-1,2,3,4-tetrahydrocarbazol-1-amine
SMILESCn1c2c(c3ccc(Br)cc31)CCCC2N
InChIInChI=1S/C13H15BrN2/c1-16-12-7-8(14)5-6-9(12)10-3-2-4-11(15)13(10)16/h5-7,11H,2-4,15H2,1H3
InChIKeyPPCITGKFARPNFQ-UHFFFAOYSA-N
MW279.18 g/mol
LogP3.28
Rot. Bonds

About 7-bromo-9-methyl-1,2,3,4-tetrahydrocarbazol-1-amine

7-bromo-9-methyl-1,2,3,4-tetrahydrocarbazol-1-amine (PubChem CID 84642534) has the molecular formula C13H15BrN2 and a molecular weight of 279.18 g/mol. Its IUPAC name is 7-bromo-9-methyl-1,2,3,4-tetrahydrocarbazol-1-amine.

Molecular Properties

Compound Name7-bromo-9-methyl-1,2,3,4-tetrahydrocarbazol-1-amine
PubChem CID84642534
Molecular FormulaC13H15BrN2
Molecular Weight279.18 g/mol
Exact Mass278.04
IUPAC Name7-bromo-9-methyl-1,2,3,4-tetrahydrocarbazol-1-amine
SMILESCn1c2c(c3ccc(Br)cc31)CCCC2N
InChIInChI=1S/C13H15BrN2/c1-16-12-7-8(14)5-6-9(12)10-3-2-4-11(15)13(10)16/h5-7,11H,2-4,15H2,1H3
InChIKeyPPCITGKFARPNFQ-UHFFFAOYSA-N
XLogP3.28
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 53.28
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

7-bromo-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-1-amine
CID 84643998
9-bromo-11-methyl-1,2,3,5,6,11b-hexahydroindolizino[8,7-b]indole
CID 58092314
9-benzhydryl-6-bromo-1,2,3,4-tetrahydrocarbazol-1-amine
CID 90754565
2,7-dibromo-9-methylcarbazole
CID 11851387
13-bromo-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene
CID 84643840
8-fluoro-9-methyl-1,2,3,4-tetrahydrocarbazol-1-amine
CID 84622862
6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 597879
8-bromo-10-methyl-1,3,4,5-tetrahydroazepino[3,4-b]indole-2-carboxylic acid
CID 66874338
2-(7-bromo-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)ethanol
CID 170696368
(1R)-6-bromo-1,2,3,4-tetrahydronaphthalen-1-amine
CID 71416765
7-bromo-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole
CID 59267735
7-bromo-3,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylic acid
CID 67969596

Frequently Asked Questions

What is the IUPAC name of 7-bromo-9-methyl-1,2,3,4-tetrahydrocarbazol-1-amine?
The IUPAC name of 7-bromo-9-methyl-1,2,3,4-tetrahydrocarbazol-1-amine (CID 84642534) is 7-bromo-9-methyl-1,2,3,4-tetrahydrocarbazol-1-amine.
What is the SMILES notation for 7-bromo-9-methyl-1,2,3,4-tetrahydrocarbazol-1-amine?
The canonical SMILES for 7-bromo-9-methyl-1,2,3,4-tetrahydrocarbazol-1-amine is Cn1c2c(c3ccc(Br)cc31)CCCC2N.
What is the InChIKey of 7-bromo-9-methyl-1,2,3,4-tetrahydrocarbazol-1-amine?
The InChIKey is PPCITGKFARPNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2/c1-16-12-7-8(14)5-6-9(12)10-3-2-4-11(15)13(10)16/h5-7,11H,2-4,15H2,1H3.
What are the key properties of 7-bromo-9-methyl-1,2,3,4-tetrahydrocarbazol-1-amine?
7-bromo-9-methyl-1,2,3,4-tetrahydrocarbazol-1-amine has a molecular weight of 279.18 g/mol, XLogP of 3.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-9-methyl-1,2,3,4-tetrahydrocarbazol-1-amine is sourced from PubChem (CID 84642534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).