9-[(2-bromophenyl)methyl]carbazole-3,6-diamine

C19H16BrN3 — CID 132605166

IUPAC9-[(2-bromophenyl)methyl]carbazole-3,6-diamine
SMILESNc1ccc2c(c1)c1cc(N)ccc1n2Cc1ccccc1Br
InChIInChI=1S/C19H16BrN3/c20-17-4-2-1-3-12(17)11-23-18-7-5-13(21)9-15(18)16-10-14(22)6-8-19(16)23/h1-10H,11,21-22H2
InChIKeyXNGVLEOXZNFIAR-UHFFFAOYSA-N
MW366.26 g/mol
LogP4.77
Rot. Bonds2

About 9-[(2-bromophenyl)methyl]carbazole-3,6-diamine

9-[(2-bromophenyl)methyl]carbazole-3,6-diamine (PubChem CID 132605166) has the molecular formula C19H16BrN3 and a molecular weight of 366.26 g/mol. Its IUPAC name is 9-[(2-bromophenyl)methyl]carbazole-3,6-diamine.

Molecular Properties

Compound Name9-[(2-bromophenyl)methyl]carbazole-3,6-diamine
PubChem CID132605166
Molecular FormulaC19H16BrN3
Molecular Weight366.26 g/mol
Exact Mass365.05
IUPAC Name9-[(2-bromophenyl)methyl]carbazole-3,6-diamine
SMILESNc1ccc2c(c1)c1cc(N)ccc1n2Cc1ccccc1Br
InChIInChI=1S/C19H16BrN3/c20-17-4-2-1-3-12(17)11-23-18-7-5-13(21)9-15(18)16-10-14(22)6-8-19(16)23/h1-10H,11,21-22H2
InChIKeyXNGVLEOXZNFIAR-UHFFFAOYSA-N
XLogP4.77
TPSA56.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.26
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 9-[(2-bromophenyl)methyl]carbazole-3,6-diamine 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

1-[(2-bromophenyl)methyl]benzimidazol-5-amine
CID 62508387
9-[(2-methylphenyl)methyl]carbazole-2,7-diamine
CID 134294518
anthracene-9,10-diamine;9-ethylcarbazole-3,6-diamine
CID 159856666
3-amino-2-[(2-bromophenyl)methyl]isoquinolin-1-one
CID 61414104
3-[(3-bromo-2-methylindol-1-yl)methyl]-4-chloroaniline
CID 63415098
9-(methoxymethyl)carbazole-3,6-diamine
CID 174533461
2-(3-aminocarbazol-9-yl)ethanol;hydrochloride
CID 66915381
4-[(2-bromophenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-amine
CID 54905540
1-[(2-bromophenyl)methyl]-2-(1-chloroethyl)-5-iodobenzimidazole
CID 66082034
1-[(2-ethylphenyl)methyl]-2-methylbenzimidazol-5-amine
CID 64694790
acetic acid;9-ethylcarbazol-3-amine
CID 68649355
3-[(2-bromophenyl)methoxy]-4-methylaniline
CID 43520223

Frequently Asked Questions

What is the IUPAC name of 9-[(2-bromophenyl)methyl]carbazole-3,6-diamine?
The IUPAC name of 9-[(2-bromophenyl)methyl]carbazole-3,6-diamine (CID 132605166) is 9-[(2-bromophenyl)methyl]carbazole-3,6-diamine.
What is the SMILES notation for 9-[(2-bromophenyl)methyl]carbazole-3,6-diamine?
The canonical SMILES for 9-[(2-bromophenyl)methyl]carbazole-3,6-diamine is Nc1ccc2c(c1)c1cc(N)ccc1n2Cc1ccccc1Br.
What is the InChIKey of 9-[(2-bromophenyl)methyl]carbazole-3,6-diamine?
The InChIKey is XNGVLEOXZNFIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3/c20-17-4-2-1-3-12(17)11-23-18-7-5-13(21)9-15(18)16-10-14(22)6-8-19(16)23/h1-10H,11,21-22H2.
What are the key properties of 9-[(2-bromophenyl)methyl]carbazole-3,6-diamine?
9-[(2-bromophenyl)methyl]carbazole-3,6-diamine has a molecular weight of 366.26 g/mol, XLogP of 4.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-bromophenyl)methyl]carbazole-3,6-diamine is sourced from PubChem (CID 132605166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).