(5-amino-2,4-dimethylphenyl)-(5-methyl-1H-indol-3-yl)methanone

C18H18N2O — CID 102707031

IUPAC(5-amino-2,4-dimethylphenyl)-(5-methyl-1H-indol-3-yl)methanone
SMILESCc1ccc2[nH]cc(C(=O)c3cc(N)c(C)cc3C)c2c1
InChIInChI=1S/C18H18N2O/c1-10-4-5-17-14(6-10)15(9-20-17)18(21)13-8-16(19)12(3)7-11(13)2/h4-9,20H,19H2,1-3H3
InChIKeyMLDTXMMXQRHDMD-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.91
Rot. Bonds2

About (5-amino-2,4-dimethylphenyl)-(5-methyl-1H-indol-3-yl)methanone

(5-amino-2,4-dimethylphenyl)-(5-methyl-1H-indol-3-yl)methanone (PubChem CID 102707031) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is (5-amino-2,4-dimethylphenyl)-(5-methyl-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(5-amino-2,4-dimethylphenyl)-(5-methyl-1H-indol-3-yl)methanone
PubChem CID102707031
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name(5-amino-2,4-dimethylphenyl)-(5-methyl-1H-indol-3-yl)methanone
SMILESCc1ccc2[nH]cc(C(=O)c3cc(N)c(C)cc3C)c2c1
InChIInChI=1S/C18H18N2O/c1-10-4-5-17-14(6-10)15(9-20-17)18(21)13-8-16(19)12(3)7-11(13)2/h4-9,20H,19H2,1-3H3
InChIKeyMLDTXMMXQRHDMD-UHFFFAOYSA-N
XLogP3.91
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-amino-2,5-difluorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 107123712
(4-bromophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 63555156
(2-amino-5-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone
CID 65453793
(4-chlorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 63555318
(2,5-dichlorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 63555332
(2-fluorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 63555321
(5-amino-2,4-dimethylphenyl)-(4-chloro-1H-indol-3-yl)methanone
CID 102707056
(5-methyl-1H-indol-3-yl)-(3,4,5-trifluorophenyl)methanone
CID 63555314
(2-amino-5-methylphenyl)-(6-bromo-1H-indol-3-yl)methanone
CID 65455500
(5-methyl-1H-indol-3-yl)-(2,4,6-trifluorophenyl)methanone
CID 65101248
(5-bromo-1H-indol-3-yl)-(2-fluoro-5-methylphenyl)methanone
CID 62514797
(2-bromo-5-methylphenyl)-(5-fluoro-1H-indol-3-yl)methanone
CID 81109626

Frequently Asked Questions

What is the IUPAC name of (5-amino-2,4-dimethylphenyl)-(5-methyl-1H-indol-3-yl)methanone?
The IUPAC name of (5-amino-2,4-dimethylphenyl)-(5-methyl-1H-indol-3-yl)methanone (CID 102707031) is (5-amino-2,4-dimethylphenyl)-(5-methyl-1H-indol-3-yl)methanone.
What is the SMILES notation for (5-amino-2,4-dimethylphenyl)-(5-methyl-1H-indol-3-yl)methanone?
The canonical SMILES for (5-amino-2,4-dimethylphenyl)-(5-methyl-1H-indol-3-yl)methanone is Cc1ccc2[nH]cc(C(=O)c3cc(N)c(C)cc3C)c2c1.
What is the InChIKey of (5-amino-2,4-dimethylphenyl)-(5-methyl-1H-indol-3-yl)methanone?
The InChIKey is MLDTXMMXQRHDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-10-4-5-17-14(6-10)15(9-20-17)18(21)13-8-16(19)12(3)7-11(13)2/h4-9,20H,19H2,1-3H3.
What are the key properties of (5-amino-2,4-dimethylphenyl)-(5-methyl-1H-indol-3-yl)methanone?
(5-amino-2,4-dimethylphenyl)-(5-methyl-1H-indol-3-yl)methanone has a molecular weight of 278.36 g/mol, XLogP of 3.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2,4-dimethylphenyl)-(5-methyl-1H-indol-3-yl)methanone is sourced from PubChem (CID 102707031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).