1-[2-(2,3,5,6-tetramethylphenyl)phenyl]ethanamine

C18H23N — CID 54910087

IUPAC1-[2-(2,3,5,6-tetramethylphenyl)phenyl]ethanamine
SMILESCc1cc(C)c(C)c(-c2ccccc2C(C)N)c1C
InChIInChI=1S/C18H23N/c1-11-10-12(2)14(4)18(13(11)3)17-9-7-6-8-16(17)15(5)19/h6-10,15H,19H2,1-5H3
InChIKeyZOJMGCFBFLWRNV-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.61
Rot. Bonds2

About 1-[2-(2,3,5,6-tetramethylphenyl)phenyl]ethanamine

1-[2-(2,3,5,6-tetramethylphenyl)phenyl]ethanamine (PubChem CID 54910087) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-[2-(2,3,5,6-tetramethylphenyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-(2,3,5,6-tetramethylphenyl)phenyl]ethanamine
PubChem CID54910087
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name1-[2-(2,3,5,6-tetramethylphenyl)phenyl]ethanamine
SMILESCc1cc(C)c(C)c(-c2ccccc2C(C)N)c1C
InChIInChI=1S/C18H23N/c1-11-10-12(2)14(4)18(13(11)3)17-9-7-6-8-16(17)15(5)19/h6-10,15H,19H2,1-5H3
InChIKeyZOJMGCFBFLWRNV-UHFFFAOYSA-N
XLogP4.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3,5,6-tetramethylphenyl)phenyl]ethanamine?
The IUPAC name of 1-[2-(2,3,5,6-tetramethylphenyl)phenyl]ethanamine (CID 54910087) is 1-[2-(2,3,5,6-tetramethylphenyl)phenyl]ethanamine.
What is the SMILES notation for 1-[2-(2,3,5,6-tetramethylphenyl)phenyl]ethanamine?
The canonical SMILES for 1-[2-(2,3,5,6-tetramethylphenyl)phenyl]ethanamine is Cc1cc(C)c(C)c(-c2ccccc2C(C)N)c1C.
What is the InChIKey of 1-[2-(2,3,5,6-tetramethylphenyl)phenyl]ethanamine?
The InChIKey is ZOJMGCFBFLWRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-11-10-12(2)14(4)18(13(11)3)17-9-7-6-8-16(17)15(5)19/h6-10,15H,19H2,1-5H3.
What are the key properties of 1-[2-(2,3,5,6-tetramethylphenyl)phenyl]ethanamine?
1-[2-(2,3,5,6-tetramethylphenyl)phenyl]ethanamine has a molecular weight of 253.39 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3,5,6-tetramethylphenyl)phenyl]ethanamine is sourced from PubChem (CID 54910087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).