(5-amino-2-methylphenyl)-[2-methyl-4-(2,3,4,5,6-pentamethylanilino)phenyl]methanone

C26H30N2O — CID 58659577

IUPAC(5-amino-2-methylphenyl)-[2-methyl-4-(2,3,4,5,6-pentamethylanilino)phenyl]methanone
SMILESCc1cc(Nc2c(C)c(C)c(C)c(C)c2C)ccc1C(=O)c1cc(N)ccc1C
InChIInChI=1S/C26H30N2O/c1-14-8-9-21(27)13-24(14)26(29)23-11-10-22(12-15(23)2)28-25-19(6)17(4)16(3)18(5)20(25)7/h8-13,28H,27H2,1-7H3
InChIKeyOMLRFMCVZXFJHN-UHFFFAOYSA-N
MW386.54 g/mol
LogP6.40
Rot. Bonds4

About (5-amino-2-methylphenyl)-[2-methyl-4-(2,3,4,5,6-pentamethylanilino)phenyl]methanone

(5-amino-2-methylphenyl)-[2-methyl-4-(2,3,4,5,6-pentamethylanilino)phenyl]methanone (PubChem CID 58659577) has the molecular formula C26H30N2O and a molecular weight of 386.54 g/mol. Its IUPAC name is (5-amino-2-methylphenyl)-[2-methyl-4-(2,3,4,5,6-pentamethylanilino)phenyl]methanone.

Molecular Properties

Compound Name(5-amino-2-methylphenyl)-[2-methyl-4-(2,3,4,5,6-pentamethylanilino)phenyl]methanone
PubChem CID58659577
Molecular FormulaC26H30N2O
Molecular Weight386.54 g/mol
Exact Mass386.24
IUPAC Name(5-amino-2-methylphenyl)-[2-methyl-4-(2,3,4,5,6-pentamethylanilino)phenyl]methanone
SMILESCc1cc(Nc2c(C)c(C)c(C)c(C)c2C)ccc1C(=O)c1cc(N)ccc1C
InChIInChI=1S/C26H30N2O/c1-14-8-9-21(27)13-24(14)26(29)23-11-10-22(12-15(23)2)28-25-19(6)17(4)16(3)18(5)20(25)7/h8-13,28H,27H2,1-7H3
InChIKeyOMLRFMCVZXFJHN-UHFFFAOYSA-N
XLogP6.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.54
LogP ≤ 56.40
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

(4-amino-2-methylphenyl)-(2,4-diaminophenyl)methanone
CID 163468215
5-amino-2-(3,4-dimethylanilino)benzamide
CID 61307817
5-amino-2-methyl-N-[3-methyl-4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 120631954
5-amino-N-carbamoyl-2-methylbenzamide
CID 130015000
(3-amino-2-methylphenyl)-(4-amino-2-methylphenyl)methanone
CID 118105017
[4-(3-aminoanilino)-2-methylphenyl]-[5-[4-(2-hydroxyethyl)triazol-1-yl]-2-methylphenyl]methanone
CID 89105303
5-(4-carbamoyl-3-methylanilino)-2-methylbenzoic acid
CID 81269584
2-methyl-5-(2,4,6-trimethylanilino)benzoic acid
CID 155290586
5-amino-2-methyl-N-methylsulfonylbenzamide
CID 18957755
5-amino-2-(3,4-dimethylanilino)-N-propylbenzamide
CID 100643509
5-amino-2-(3-bromo-4-methylanilino)-3-chlorobenzoic acid
CID 107195858
5-amino-2-(4-bromo-3-methylanilino)benzamide
CID 61306866

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-methylphenyl)-[2-methyl-4-(2,3,4,5,6-pentamethylanilino)phenyl]methanone?
The IUPAC name of (5-amino-2-methylphenyl)-[2-methyl-4-(2,3,4,5,6-pentamethylanilino)phenyl]methanone (CID 58659577) is (5-amino-2-methylphenyl)-[2-methyl-4-(2,3,4,5,6-pentamethylanilino)phenyl]methanone.
What is the SMILES notation for (5-amino-2-methylphenyl)-[2-methyl-4-(2,3,4,5,6-pentamethylanilino)phenyl]methanone?
The canonical SMILES for (5-amino-2-methylphenyl)-[2-methyl-4-(2,3,4,5,6-pentamethylanilino)phenyl]methanone is Cc1cc(Nc2c(C)c(C)c(C)c(C)c2C)ccc1C(=O)c1cc(N)ccc1C.
What is the InChIKey of (5-amino-2-methylphenyl)-[2-methyl-4-(2,3,4,5,6-pentamethylanilino)phenyl]methanone?
The InChIKey is OMLRFMCVZXFJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O/c1-14-8-9-21(27)13-24(14)26(29)23-11-10-22(12-15(23)2)28-25-19(6)17(4)16(3)18(5)20(25)7/h8-13,28H,27H2,1-7H3.
What are the key properties of (5-amino-2-methylphenyl)-[2-methyl-4-(2,3,4,5,6-pentamethylanilino)phenyl]methanone?
(5-amino-2-methylphenyl)-[2-methyl-4-(2,3,4,5,6-pentamethylanilino)phenyl]methanone has a molecular weight of 386.54 g/mol, XLogP of 6.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-methylphenyl)-[2-methyl-4-(2,3,4,5,6-pentamethylanilino)phenyl]methanone is sourced from PubChem (CID 58659577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).