4-methyl-3-(2,3,4,5,6-pentamethylphenyl)aniline

C18H23N — CID 63334858

IUPAC4-methyl-3-(2,3,4,5,6-pentamethylphenyl)aniline
SMILESCc1ccc(N)cc1-c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C18H23N/c1-10-7-8-16(19)9-17(10)18-14(5)12(3)11(2)13(4)15(18)6/h7-9H,19H2,1-6H3
InChIKeyATDKTJNQXXNFHL-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.79
Rot. Bonds1

About 4-methyl-3-(2,3,4,5,6-pentamethylphenyl)aniline

4-methyl-3-(2,3,4,5,6-pentamethylphenyl)aniline (PubChem CID 63334858) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-methyl-3-(2,3,4,5,6-pentamethylphenyl)aniline.

Molecular Properties

Compound Name4-methyl-3-(2,3,4,5,6-pentamethylphenyl)aniline
PubChem CID63334858
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name4-methyl-3-(2,3,4,5,6-pentamethylphenyl)aniline
SMILESCc1ccc(N)cc1-c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C18H23N/c1-10-7-8-16(19)9-17(10)18-14(5)12(3)11(2)13(4)15(18)6/h7-9H,19H2,1-6H3
InChIKeyATDKTJNQXXNFHL-UHFFFAOYSA-N
XLogP4.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(2,3,4,5,6-pentamethylphenyl)aniline?
The IUPAC name of 4-methyl-3-(2,3,4,5,6-pentamethylphenyl)aniline (CID 63334858) is 4-methyl-3-(2,3,4,5,6-pentamethylphenyl)aniline.
What is the SMILES notation for 4-methyl-3-(2,3,4,5,6-pentamethylphenyl)aniline?
The canonical SMILES for 4-methyl-3-(2,3,4,5,6-pentamethylphenyl)aniline is Cc1ccc(N)cc1-c1c(C)c(C)c(C)c(C)c1C.
What is the InChIKey of 4-methyl-3-(2,3,4,5,6-pentamethylphenyl)aniline?
The InChIKey is ATDKTJNQXXNFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-10-7-8-16(19)9-17(10)18-14(5)12(3)11(2)13(4)15(18)6/h7-9H,19H2,1-6H3.
What are the key properties of 4-methyl-3-(2,3,4,5,6-pentamethylphenyl)aniline?
4-methyl-3-(2,3,4,5,6-pentamethylphenyl)aniline has a molecular weight of 253.39 g/mol, XLogP of 4.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2,3,4,5,6-pentamethylphenyl)aniline is sourced from PubChem (CID 63334858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).