1-(4-tert-butylphenyl)-N-ethylpropan-2-amine

C15H25N — CID 62600197

IUPAC1-(4-tert-butylphenyl)-N-ethylpropan-2-amine
SMILESCCNC(C)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H25N/c1-6-16-12(2)11-13-7-9-14(10-8-13)15(3,4)5/h7-10,12,16H,6,11H2,1-5H3
InChIKeyGLPKXYRWKJNKAU-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.52
Rot. Bonds4

About 1-(4-tert-butylphenyl)-N-ethylpropan-2-amine

1-(4-tert-butylphenyl)-N-ethylpropan-2-amine (PubChem CID 62600197) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-N-ethylpropan-2-amine
PubChem CID62600197
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name1-(4-tert-butylphenyl)-N-ethylpropan-2-amine
SMILESCCNC(C)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H25N/c1-6-16-12(2)11-13-7-9-14(10-8-13)15(3,4)5/h7-10,12,16H,6,11H2,1-5H3
InChIKeyGLPKXYRWKJNKAU-UHFFFAOYSA-N
XLogP3.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-N-ethylpropan-2-amine?
The IUPAC name of 1-(4-tert-butylphenyl)-N-ethylpropan-2-amine (CID 62600197) is 1-(4-tert-butylphenyl)-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-N-ethylpropan-2-amine?
The canonical SMILES for 1-(4-tert-butylphenyl)-N-ethylpropan-2-amine is CCNC(C)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-N-ethylpropan-2-amine?
The InChIKey is GLPKXYRWKJNKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-6-16-12(2)11-13-7-9-14(10-8-13)15(3,4)5/h7-10,12,16H,6,11H2,1-5H3.
What are the key properties of 1-(4-tert-butylphenyl)-N-ethylpropan-2-amine?
1-(4-tert-butylphenyl)-N-ethylpropan-2-amine has a molecular weight of 219.37 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-N-ethylpropan-2-amine is sourced from PubChem (CID 62600197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).