1-(4-tert-butylphenyl)-4-ethoxy-N-propylbutan-2-amine

C19H33NO — CID 105136157

IUPAC1-(4-tert-butylphenyl)-4-ethoxy-N-propylbutan-2-amine
SMILESCCCNC(CCOCC)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H33NO/c1-6-13-20-18(12-14-21-7-2)15-16-8-10-17(11-9-16)19(3,4)5/h8-11,18,20H,6-7,12-15H2,1-5H3
InChIKeyUKPPRRZXYIVIRS-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.32
Rot. Bonds9

About 1-(4-tert-butylphenyl)-4-ethoxy-N-propylbutan-2-amine

1-(4-tert-butylphenyl)-4-ethoxy-N-propylbutan-2-amine (PubChem CID 105136157) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-4-ethoxy-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-4-ethoxy-N-propylbutan-2-amine
PubChem CID105136157
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name1-(4-tert-butylphenyl)-4-ethoxy-N-propylbutan-2-amine
SMILESCCCNC(CCOCC)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H33NO/c1-6-13-20-18(12-14-21-7-2)15-16-8-10-17(11-9-16)19(3,4)5/h8-11,18,20H,6-7,12-15H2,1-5H3
InChIKeyUKPPRRZXYIVIRS-UHFFFAOYSA-N
XLogP4.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-tert-butylphenyl)-4-ethoxy-N-propylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-4-ethoxy-N-propylbutan-2-amine?
The IUPAC name of 1-(4-tert-butylphenyl)-4-ethoxy-N-propylbutan-2-amine (CID 105136157) is 1-(4-tert-butylphenyl)-4-ethoxy-N-propylbutan-2-amine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-4-ethoxy-N-propylbutan-2-amine?
The canonical SMILES for 1-(4-tert-butylphenyl)-4-ethoxy-N-propylbutan-2-amine is CCCNC(CCOCC)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-4-ethoxy-N-propylbutan-2-amine?
The InChIKey is UKPPRRZXYIVIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-6-13-20-18(12-14-21-7-2)15-16-8-10-17(11-9-16)19(3,4)5/h8-11,18,20H,6-7,12-15H2,1-5H3.
What are the key properties of 1-(4-tert-butylphenyl)-4-ethoxy-N-propylbutan-2-amine?
1-(4-tert-butylphenyl)-4-ethoxy-N-propylbutan-2-amine has a molecular weight of 291.48 g/mol, XLogP of 4.32, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-4-ethoxy-N-propylbutan-2-amine is sourced from PubChem (CID 105136157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).