6-bromo-N-[(2R)-2-phenylpropyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine

C21H23BrN2 — CID 11258664

IUPAC6-bromo-N-[(2R)-2-phenylpropyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESC[C@@H](CNC1CCCc2c1[nH]c1ccc(Br)cc21)c1ccccc1
InChIInChI=1S/C21H23BrN2/c1-14(15-6-3-2-4-7-15)13-23-20-9-5-8-17-18-12-16(22)10-11-19(18)24-21(17)20/h2-4,6-7,10-12,14,20,23-24H,5,8-9,13H2,1H3/t14-,20?/m0/s1
InChIKeyXDIBGTWRDPPERV-PVCZSOGJSA-N
MW383.33 g/mol
LogP5.70
Rot. Bonds4

About 6-bromo-N-[(2R)-2-phenylpropyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine

6-bromo-N-[(2R)-2-phenylpropyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine (PubChem CID 11258664) has the molecular formula C21H23BrN2 and a molecular weight of 383.33 g/mol. Its IUPAC name is 6-bromo-N-[(2R)-2-phenylpropyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine.

Molecular Properties

Compound Name6-bromo-N-[(2R)-2-phenylpropyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
PubChem CID11258664
Molecular FormulaC21H23BrN2
Molecular Weight383.33 g/mol
Exact Mass382.10
IUPAC Name6-bromo-N-[(2R)-2-phenylpropyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESC[C@@H](CNC1CCCc2c1[nH]c1ccc(Br)cc21)c1ccccc1
InChIInChI=1S/C21H23BrN2/c1-14(15-6-3-2-4-7-15)13-23-20-9-5-8-17-18-12-16(22)10-11-19(18)24-21(17)20/h2-4,6-7,10-12,14,20,23-24H,5,8-9,13H2,1H3/t14-,20?/m0/s1
InChIKeyXDIBGTWRDPPERV-PVCZSOGJSA-N
XLogP5.70
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.33
LogP ≤ 55.70
H-Bond Donors ≤ 52
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 6-bromo-N-[(2R)-2-phenylpropyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The IUPAC name of 6-bromo-N-[(2R)-2-phenylpropyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine (CID 11258664) is 6-bromo-N-[(2R)-2-phenylpropyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine.
What is the SMILES notation for 6-bromo-N-[(2R)-2-phenylpropyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The canonical SMILES for 6-bromo-N-[(2R)-2-phenylpropyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine is C[C@@H](CNC1CCCc2c1[nH]c1ccc(Br)cc21)c1ccccc1.
What is the InChIKey of 6-bromo-N-[(2R)-2-phenylpropyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The InChIKey is XDIBGTWRDPPERV-PVCZSOGJSA-N. The full InChI is InChI=1S/C21H23BrN2/c1-14(15-6-3-2-4-7-15)13-23-20-9-5-8-17-18-12-16(22)10-11-19(18)24-21(17)20/h2-4,6-7,10-12,14,20,23-24H,5,8-9,13H2,1H3/t14-,20?/m0/s1.
What are the key properties of 6-bromo-N-[(2R)-2-phenylpropyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
6-bromo-N-[(2R)-2-phenylpropyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine has a molecular weight of 383.33 g/mol, XLogP of 5.70, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(2R)-2-phenylpropyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine is sourced from PubChem (CID 11258664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).