7-bromo-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-1-amine

C14H17BrN2 — CID 84643998

IUPAC7-bromo-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-1-amine
SMILESCNC1CCCc2c1n(C)c1cc(Br)ccc21
InChIInChI=1S/C14H17BrN2/c1-16-12-5-3-4-11-10-7-6-9(15)8-13(10)17(2)14(11)12/h6-8,12,16H,3-5H2,1-2H3
InChIKeyQYWPIWRRFAQSFQ-UHFFFAOYSA-N
MW293.21 g/mol
LogP3.54
Rot. Bonds1

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

7-bromo-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-1-amine (PubChem CID 84643998) has the molecular formula C14H17BrN2 and a molecular weight of 293.21 g/mol. Its IUPAC name is 7-bromo-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-1-amine.

Molecular Properties

Compound Name7-bromo-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-1-amine
PubChem CID84643998
Molecular FormulaC14H17BrN2
Molecular Weight293.21 g/mol
Exact Mass292.06
IUPAC Name7-bromo-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-1-amine
SMILESCNC1CCCc2c1n(C)c1cc(Br)ccc21
InChIInChI=1S/C14H17BrN2/c1-16-12-5-3-4-11-10-7-6-9(15)8-13(10)17(2)14(11)12/h6-8,12,16H,3-5H2,1-2H3
InChIKeyQYWPIWRRFAQSFQ-UHFFFAOYSA-N
XLogP3.54
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 53.54
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-9-methyl-1,2,3,4-tetrahydrocarbazol-1-amine
CID 84642534
9-bromo-11-methyl-1,2,3,5,6,11b-hexahydroindolizino[8,7-b]indole
CID 58092314
8-ethyl-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-1-amine
CID 84630595
2,7-dibromo-9-methylcarbazole
CID 11851387
6-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 83912581
13-bromo-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene
CID 84643840
[(1S)-6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-1-yl]urea
CID 878821
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
1-(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-1-yl)-N-methylmethanamine
CID 84637264
7-bromo-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole
CID 59267735
2-(4-bromo-2-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 103083722

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-1-amine?
The IUPAC name of 7-bromo-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-1-amine (CID 84643998) is 7-bromo-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-1-amine.
What is the SMILES notation for 7-bromo-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-1-amine?
The canonical SMILES for 7-bromo-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-1-amine is CNC1CCCc2c1n(C)c1cc(Br)ccc21.
What is the InChIKey of 7-bromo-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-1-amine?
The InChIKey is QYWPIWRRFAQSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2/c1-16-12-5-3-4-11-10-7-6-9(15)8-13(10)17(2)14(11)12/h6-8,12,16H,3-5H2,1-2H3.
What are the key properties of 7-bromo-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-1-amine?
7-bromo-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-1-amine has a molecular weight of 293.21 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-1-amine is sourced from PubChem (CID 84643998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).