(2R)-6-bromo-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-2-amine;hydrochloride

C14H18BrClN2 — CID 140998240

IUPAC(2R)-6-bromo-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-2-amine;hydrochloride
SMILESCN(C)[C@@H]1CCc2c([nH]c3ccc(Br)cc23)C1.Cl
InChIInChI=1S/C14H17BrN2.ClH/c1-17(2)10-4-5-11-12-7-9(15)3-6-13(12)16-14(11)8-10;/h3,6-7,10,16H,4-5,8H2,1-2H3;1H/t10-;/m1./s1
InChIKeyGDRXBWYMRCTVKL-HNCPQSOCSA-N
MW329.67 g/mol
LogP3.77
Rot. Bonds1

About (2R)-6-bromo-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-2-amine;hydrochloride

(2R)-6-bromo-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-2-amine;hydrochloride (PubChem CID 140998240) has the molecular formula C14H18BrClN2 and a molecular weight of 329.67 g/mol. Its IUPAC name is (2R)-6-bromo-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-2-amine;hydrochloride.

Molecular Properties

Compound Name(2R)-6-bromo-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-2-amine;hydrochloride
PubChem CID140998240
Molecular FormulaC14H18BrClN2
Molecular Weight329.67 g/mol
Exact Mass328.03
IUPAC Name(2R)-6-bromo-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-2-amine;hydrochloride
SMILESCN(C)[C@@H]1CCc2c([nH]c3ccc(Br)cc23)C1.Cl
InChIInChI=1S/C14H17BrN2.ClH/c1-17(2)10-4-5-11-12-7-9(15)3-6-13(12)16-14(11)8-10;/h3,6-7,10,16H,4-5,8H2,1-2H3;1H/t10-;/m1./s1
InChIKeyGDRXBWYMRCTVKL-HNCPQSOCSA-N
XLogP3.77
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.67
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-6-bromo-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-2-amine;hydrochloride?
The IUPAC name of (2R)-6-bromo-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-2-amine;hydrochloride (CID 140998240) is (2R)-6-bromo-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-2-amine;hydrochloride.
What is the SMILES notation for (2R)-6-bromo-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-2-amine;hydrochloride?
The canonical SMILES for (2R)-6-bromo-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-2-amine;hydrochloride is CN(C)[C@@H]1CCc2c([nH]c3ccc(Br)cc23)C1.Cl.
What is the InChIKey of (2R)-6-bromo-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-2-amine;hydrochloride?
The InChIKey is GDRXBWYMRCTVKL-HNCPQSOCSA-N. The full InChI is InChI=1S/C14H17BrN2.ClH/c1-17(2)10-4-5-11-12-7-9(15)3-6-13(12)16-14(11)8-10;/h3,6-7,10,16H,4-5,8H2,1-2H3;1H/t10-;/m1./s1.
What are the key properties of (2R)-6-bromo-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-2-amine;hydrochloride?
(2R)-6-bromo-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-2-amine;hydrochloride has a molecular weight of 329.67 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-bromo-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-2-amine;hydrochloride is sourced from PubChem (CID 140998240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).