8-bromo-5-chloro-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine

C14H16BrClN2 — CID 12891794

IUPAC8-bromo-5-chloro-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
SMILESCN(C)C1CCc2[nH]c3c(Br)ccc(Cl)c3c2C1
InChIInChI=1S/C14H16BrClN2/c1-18(2)8-3-6-12-9(7-8)13-11(16)5-4-10(15)14(13)17-12/h4-5,8,17H,3,6-7H2,1-2H3
InChIKeyFUUXQWQLAAUTKB-UHFFFAOYSA-N
MW327.65 g/mol
LogP4.00
Rot. Bonds1

About 8-bromo-5-chloro-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine

8-bromo-5-chloro-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine (PubChem CID 12891794) has the molecular formula C14H16BrClN2 and a molecular weight of 327.65 g/mol. Its IUPAC name is 8-bromo-5-chloro-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine.

Molecular Properties

Compound Name8-bromo-5-chloro-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
PubChem CID12891794
Molecular FormulaC14H16BrClN2
Molecular Weight327.65 g/mol
Exact Mass326.02
IUPAC Name8-bromo-5-chloro-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
SMILESCN(C)C1CCc2[nH]c3c(Br)ccc(Cl)c3c2C1
InChIInChI=1S/C14H16BrClN2/c1-18(2)8-3-6-12-9(7-8)13-11(16)5-4-10(15)14(13)17-12/h4-5,8,17H,3,6-7H2,1-2H3
InChIKeyFUUXQWQLAAUTKB-UHFFFAOYSA-N
XLogP4.00
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.65
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-5-chloro-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
The IUPAC name of 8-bromo-5-chloro-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine (CID 12891794) is 8-bromo-5-chloro-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine.
What is the SMILES notation for 8-bromo-5-chloro-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
The canonical SMILES for 8-bromo-5-chloro-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine is CN(C)C1CCc2[nH]c3c(Br)ccc(Cl)c3c2C1.
What is the InChIKey of 8-bromo-5-chloro-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
The InChIKey is FUUXQWQLAAUTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN2/c1-18(2)8-3-6-12-9(7-8)13-11(16)5-4-10(15)14(13)17-12/h4-5,8,17H,3,6-7H2,1-2H3.
What are the key properties of 8-bromo-5-chloro-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
8-bromo-5-chloro-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine has a molecular weight of 327.65 g/mol, XLogP of 4.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-5-chloro-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine is sourced from PubChem (CID 12891794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).