1-(2,5-dimethylphenyl)-2-ethyl-2-phenylbutan-1-amine

C20H27N — CID 63417945

IUPAC1-(2,5-dimethylphenyl)-2-ethyl-2-phenylbutan-1-amine
SMILESCCC(CC)(c1ccccc1)C(N)c1cc(C)ccc1C
InChIInChI=1S/C20H27N/c1-5-20(6-2,17-10-8-7-9-11-17)19(21)18-14-15(3)12-13-16(18)4/h7-14,19H,5-6,21H2,1-4H3
InChIKeyPXWKGEIXEWUQSE-UHFFFAOYSA-N
MW281.44 g/mol
LogP5.06
Rot. Bonds5

About 1-(2,5-dimethylphenyl)-2-ethyl-2-phenylbutan-1-amine

1-(2,5-dimethylphenyl)-2-ethyl-2-phenylbutan-1-amine (PubChem CID 63417945) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2-ethyl-2-phenylbutan-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2-ethyl-2-phenylbutan-1-amine
PubChem CID63417945
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name1-(2,5-dimethylphenyl)-2-ethyl-2-phenylbutan-1-amine
SMILESCCC(CC)(c1ccccc1)C(N)c1cc(C)ccc1C
InChIInChI=1S/C20H27N/c1-5-20(6-2,17-10-8-7-9-11-17)19(21)18-14-15(3)12-13-16(18)4/h7-14,19H,5-6,21H2,1-4H3
InChIKeyPXWKGEIXEWUQSE-UHFFFAOYSA-N
XLogP5.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2-ethyl-2-phenylbutan-1-amine?
The IUPAC name of 1-(2,5-dimethylphenyl)-2-ethyl-2-phenylbutan-1-amine (CID 63417945) is 1-(2,5-dimethylphenyl)-2-ethyl-2-phenylbutan-1-amine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2-ethyl-2-phenylbutan-1-amine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2-ethyl-2-phenylbutan-1-amine is CCC(CC)(c1ccccc1)C(N)c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2-ethyl-2-phenylbutan-1-amine?
The InChIKey is PXWKGEIXEWUQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-5-20(6-2,17-10-8-7-9-11-17)19(21)18-14-15(3)12-13-16(18)4/h7-14,19H,5-6,21H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2-ethyl-2-phenylbutan-1-amine?
1-(2,5-dimethylphenyl)-2-ethyl-2-phenylbutan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-2-ethyl-2-phenylbutan-1-amine is sourced from PubChem (CID 63417945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).