N-benzhydryl-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-amine

C25H23BrN2 — CID 11442728

IUPACN-benzhydryl-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESBrc1ccc2[nH]c3c(c2c1)CCCC3NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H23BrN2/c26-19-14-15-22-21(16-19)20-12-7-13-23(25(20)27-22)28-24(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,14-16,23-24,27-28H,7,12-13H2
InChIKeyLCKPIYOLCVRDMD-UHFFFAOYSA-N
MW431.38 g/mol
LogP6.69
Rot. Bonds4

About N-benzhydryl-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-amine

N-benzhydryl-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-amine (PubChem CID 11442728) has the molecular formula C25H23BrN2 and a molecular weight of 431.38 g/mol. Its IUPAC name is N-benzhydryl-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-amine.

Molecular Properties

Compound NameN-benzhydryl-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-amine
PubChem CID11442728
Molecular FormulaC25H23BrN2
Molecular Weight431.38 g/mol
Exact Mass430.10
IUPAC NameN-benzhydryl-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESBrc1ccc2[nH]c3c(c2c1)CCCC3NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H23BrN2/c26-19-14-15-22-21(16-19)20-12-7-13-23(25(20)27-22)28-24(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,14-16,23-24,27-28H,7,12-13H2
InChIKeyLCKPIYOLCVRDMD-UHFFFAOYSA-N
XLogP6.69
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.38
LogP ≤ 56.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-benzhydryl-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-[(1R)-1-phenylethyl]-5,6,7,8,9,10-hexahydrocyclohepta[b]indol-6-amine
CID 11189322
6-bromo-N-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 142505549
6-bromo-N-[(2R)-2-phenylpropyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 11258664
6-bromo-N-phenyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine;hydrochloride
CID 68927585
(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-phenylmethanamine
CID 175080480
N-[(1R)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl]benzamide
CID 11474133
(1R)-6-bromo-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 2177287
(E)-N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-phenylprop-2-enamide
CID 11176897
2-[4-[(1S)-1-[[(1R)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl]amino]-2-fluoroethyl]phenyl]propan-2-ol
CID 151215373
1-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-propan-2-ylurea;hydrochloride
CID 11474671
6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 597879
6-bromo-N-[(2-methoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 154949452

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The IUPAC name of N-benzhydryl-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-amine (CID 11442728) is N-benzhydryl-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-amine.
What is the SMILES notation for N-benzhydryl-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The canonical SMILES for N-benzhydryl-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-amine is Brc1ccc2[nH]c3c(c2c1)CCCC3NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The InChIKey is LCKPIYOLCVRDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23BrN2/c26-19-14-15-22-21(16-19)20-12-7-13-23(25(20)27-22)28-24(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,14-16,23-24,27-28H,7,12-13H2.
What are the key properties of N-benzhydryl-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
N-benzhydryl-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-amine has a molecular weight of 431.38 g/mol, XLogP of 6.69, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-amine is sourced from PubChem (CID 11442728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).