(4-aminophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone

C18H21NO — CID 2776675

IUPAC(4-aminophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
SMILESCc1c(C)c(C)c(C(=O)c2ccc(N)cc2)c(C)c1C
InChIInChI=1S/C18H21NO/c1-10-11(2)13(4)17(14(5)12(10)3)18(20)15-6-8-16(19)9-7-15/h6-9H,19H2,1-5H3
InChIKeyJDZSNGLSNCZMIE-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.04
Rot. Bonds2

About (4-aminophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone

(4-aminophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone (PubChem CID 2776675) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is (4-aminophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone.

Molecular Properties

Compound Name(4-aminophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
PubChem CID2776675
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name(4-aminophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
SMILESCc1c(C)c(C)c(C(=O)c2ccc(N)cc2)c(C)c1C
InChIInChI=1S/C18H21NO/c1-10-11(2)13(4)17(14(5)12(10)3)18(20)15-6-8-16(19)9-7-15/h6-9H,19H2,1-5H3
InChIKeyJDZSNGLSNCZMIE-UHFFFAOYSA-N
XLogP4.04
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.04
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-tetramethylphenyl)methanone
CID 88611707
[4-[4-(4-aminobenzoyl)phenyl]phenyl]-(4-aminophenyl)methanone
CID 14344374
(4-aminophenyl)-phenylmethanone
CID 14346
(3,4-dimethylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43337407
4-aminobenzamide;methanol
CID 144801245
[4-[4-(4-aminophenoxy)phenoxy]phenyl]-(4-aminophenyl)methanone
CID 58298849
(4-aminophenyl)-(2,6-dimethyl-4-propoxyphenyl)methanone
CID 82266633
ethyl 4-aminobenzoate
CID 2337
(4-aminophenyl)-(2-bromo-5-methylphenyl)methanone
CID 81117835
(4-aminophenyl)-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)methanone
CID 82265287
4-aminobenzenecarbothioic S-acid
CID 18539755
4-aminobenzoic acid;hydrofluoride
CID 159690577

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone?
The IUPAC name of (4-aminophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone (CID 2776675) is (4-aminophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone.
What is the SMILES notation for (4-aminophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone?
The canonical SMILES for (4-aminophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone is Cc1c(C)c(C)c(C(=O)c2ccc(N)cc2)c(C)c1C.
What is the InChIKey of (4-aminophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone?
The InChIKey is JDZSNGLSNCZMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-10-11(2)13(4)17(14(5)12(10)3)18(20)15-6-8-16(19)9-7-15/h6-9H,19H2,1-5H3.
What are the key properties of (4-aminophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone?
(4-aminophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone has a molecular weight of 267.37 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone is sourced from PubChem (CID 2776675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).