(4-aminophenyl)-(2,3,4,5-tetramethylphenyl)methanone

C17H19NO — CID 88611707

IUPAC(4-aminophenyl)-(2,3,4,5-tetramethylphenyl)methanone
SMILESCc1cc(C(=O)c2ccc(N)cc2)c(C)c(C)c1C
InChIInChI=1S/C17H19NO/c1-10-9-16(13(4)12(3)11(10)2)17(19)14-5-7-15(18)8-6-14/h5-9H,18H2,1-4H3
InChIKeyGSPXTTQTAKXBMO-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.73
Rot. Bonds2

About (4-aminophenyl)-(2,3,4,5-tetramethylphenyl)methanone

(4-aminophenyl)-(2,3,4,5-tetramethylphenyl)methanone (PubChem CID 88611707) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is (4-aminophenyl)-(2,3,4,5-tetramethylphenyl)methanone.

Molecular Properties

Compound Name(4-aminophenyl)-(2,3,4,5-tetramethylphenyl)methanone
PubChem CID88611707
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name(4-aminophenyl)-(2,3,4,5-tetramethylphenyl)methanone
SMILESCc1cc(C(=O)c2ccc(N)cc2)c(C)c(C)c1C
InChIInChI=1S/C17H19NO/c1-10-9-16(13(4)12(3)11(10)2)17(19)14-5-7-15(18)8-6-14/h5-9H,18H2,1-4H3
InChIKeyGSPXTTQTAKXBMO-UHFFFAOYSA-N
XLogP3.73
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-aminophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
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4,6-bis(2,3,4,5-tetramethylbenzoyl)benzene-1,3-dicarboxylic acid
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(4-aminophenyl)-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 116917377
(4-aminophenyl)-(2-bromo-5-methylphenyl)methanone
CID 81117835
diphenylmethanone;2-hydroxy-2-phenyl-1-(2,3,4,5-tetramethylphenyl)ethanone
CID 175015307
(4-amino-2-methylphenyl)-(3,5-dibromophenyl)methanone
CID 107981120
[4-[4-(4-aminobenzoyl)phenyl]phenyl]-(4-aminophenyl)methanone
CID 14344374
(4-aminophenyl)-(2-ethylsulfanyl-5-methylphenyl)methanone
CID 82264961
(4-aminophenyl)-(2,4-dibromophenyl)methanone
CID 107957044
(4-aminophenyl)-(1,6-dimethylindol-3-yl)methanone
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(4-aminophenyl)-phenylmethanone
CID 14346
(4-aminophenyl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 95425026

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-(2,3,4,5-tetramethylphenyl)methanone?
The IUPAC name of (4-aminophenyl)-(2,3,4,5-tetramethylphenyl)methanone (CID 88611707) is (4-aminophenyl)-(2,3,4,5-tetramethylphenyl)methanone.
What is the SMILES notation for (4-aminophenyl)-(2,3,4,5-tetramethylphenyl)methanone?
The canonical SMILES for (4-aminophenyl)-(2,3,4,5-tetramethylphenyl)methanone is Cc1cc(C(=O)c2ccc(N)cc2)c(C)c(C)c1C.
What is the InChIKey of (4-aminophenyl)-(2,3,4,5-tetramethylphenyl)methanone?
The InChIKey is GSPXTTQTAKXBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-10-9-16(13(4)12(3)11(10)2)17(19)14-5-7-15(18)8-6-14/h5-9H,18H2,1-4H3.
What are the key properties of (4-aminophenyl)-(2,3,4,5-tetramethylphenyl)methanone?
(4-aminophenyl)-(2,3,4,5-tetramethylphenyl)methanone has a molecular weight of 253.34 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-(2,3,4,5-tetramethylphenyl)methanone is sourced from PubChem (CID 88611707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).