9-[(2-methylphenyl)methyl]carbazole-2,7-diamine

C20H19N3 — CID 134294518

IUPAC9-[(2-methylphenyl)methyl]carbazole-2,7-diamine
SMILESCc1ccccc1Cn1c2cc(N)ccc2c2ccc(N)cc21
InChIInChI=1S/C20H19N3/c1-13-4-2-3-5-14(13)12-23-19-10-15(21)6-8-17(19)18-9-7-16(22)11-20(18)23/h2-11H,12,21-22H2,1H3
InChIKeyVLWUQJCGQCRYCR-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.32
Rot. Bonds2

About 9-[(2-methylphenyl)methyl]carbazole-2,7-diamine

9-[(2-methylphenyl)methyl]carbazole-2,7-diamine (PubChem CID 134294518) has the molecular formula C20H19N3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 9-[(2-methylphenyl)methyl]carbazole-2,7-diamine.

Molecular Properties

Compound Name9-[(2-methylphenyl)methyl]carbazole-2,7-diamine
PubChem CID134294518
Molecular FormulaC20H19N3
Molecular Weight301.39 g/mol
Exact Mass301.16
IUPAC Name9-[(2-methylphenyl)methyl]carbazole-2,7-diamine
SMILESCc1ccccc1Cn1c2cc(N)ccc2c2ccc(N)cc21
InChIInChI=1S/C20H19N3/c1-13-4-2-3-5-14(13)12-23-19-10-15(21)6-8-17(19)18-9-7-16(22)11-20(18)23/h2-11H,12,21-22H2,1H3
InChIKeyVLWUQJCGQCRYCR-UHFFFAOYSA-N
XLogP4.32
TPSA56.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,7-dibromo-9-[(2-methylphenyl)methyl]carbazole
CID 134294519
1-[(2-methylphenyl)methyl]-2-propan-2-ylbenzimidazol-5-amine
CID 62506386
9-[(2-bromophenyl)methyl]carbazole-3,6-diamine
CID 132605166
2-[(2-methylphenyl)methyl]-1,3-dihydroisoindol-5-amine
CID 43175797
5-methyl-1-[(2-methylphenyl)methyl]benzimidazol-2-amine
CID 54944327
4-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]aniline
CID 92629106
9-[(2-methylphenyl)methyl]carbazole-3-carboximidamide
CID 142911316
9-[(2,5-dimethylphenyl)methyl]carbazole
CID 174908792
7-ethyl-9-[(2-methylphenyl)methyl]carbazole-4-carboxamide
CID 174417581
2-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine
CID 175547385
2-[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 59646170
2-methyl-1-[(2-methylphenyl)methyl]indol-4-ol
CID 10848359

Frequently Asked Questions

What is the IUPAC name of 9-[(2-methylphenyl)methyl]carbazole-2,7-diamine?
The IUPAC name of 9-[(2-methylphenyl)methyl]carbazole-2,7-diamine (CID 134294518) is 9-[(2-methylphenyl)methyl]carbazole-2,7-diamine.
What is the SMILES notation for 9-[(2-methylphenyl)methyl]carbazole-2,7-diamine?
The canonical SMILES for 9-[(2-methylphenyl)methyl]carbazole-2,7-diamine is Cc1ccccc1Cn1c2cc(N)ccc2c2ccc(N)cc21.
What is the InChIKey of 9-[(2-methylphenyl)methyl]carbazole-2,7-diamine?
The InChIKey is VLWUQJCGQCRYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3/c1-13-4-2-3-5-14(13)12-23-19-10-15(21)6-8-17(19)18-9-7-16(22)11-20(18)23/h2-11H,12,21-22H2,1H3.
What are the key properties of 9-[(2-methylphenyl)methyl]carbazole-2,7-diamine?
9-[(2-methylphenyl)methyl]carbazole-2,7-diamine has a molecular weight of 301.39 g/mol, XLogP of 4.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-methylphenyl)methyl]carbazole-2,7-diamine is sourced from PubChem (CID 134294518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).