2-(4-ethylphenyl)-1-(propylamino)butan-2-ol

C15H25NO — CID 62773198

IUPAC2-(4-ethylphenyl)-1-(propylamino)butan-2-ol
SMILESCCCNCC(O)(CC)c1ccc(CC)cc1
InChIInChI=1S/C15H25NO/c1-4-11-16-12-15(17,6-3)14-9-7-13(5-2)8-10-14/h7-10,16-17H,4-6,11-12H2,1-3H3
InChIKeyKKIKBKFTEALVSK-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.85
Rot. Bonds7

About 2-(4-ethylphenyl)-1-(propylamino)butan-2-ol

2-(4-ethylphenyl)-1-(propylamino)butan-2-ol (PubChem CID 62773198) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-1-(propylamino)butan-2-ol.

Molecular Properties

Compound Name2-(4-ethylphenyl)-1-(propylamino)butan-2-ol
PubChem CID62773198
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-(4-ethylphenyl)-1-(propylamino)butan-2-ol
SMILESCCCNCC(O)(CC)c1ccc(CC)cc1
InChIInChI=1S/C15H25NO/c1-4-11-16-12-15(17,6-3)14-9-7-13(5-2)8-10-14/h7-10,16-17H,4-6,11-12H2,1-3H3
InChIKeyKKIKBKFTEALVSK-UHFFFAOYSA-N
XLogP2.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-1-(propylamino)butan-2-ol?
The IUPAC name of 2-(4-ethylphenyl)-1-(propylamino)butan-2-ol (CID 62773198) is 2-(4-ethylphenyl)-1-(propylamino)butan-2-ol.
What is the SMILES notation for 2-(4-ethylphenyl)-1-(propylamino)butan-2-ol?
The canonical SMILES for 2-(4-ethylphenyl)-1-(propylamino)butan-2-ol is CCCNCC(O)(CC)c1ccc(CC)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-1-(propylamino)butan-2-ol?
The InChIKey is KKIKBKFTEALVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-11-16-12-15(17,6-3)14-9-7-13(5-2)8-10-14/h7-10,16-17H,4-6,11-12H2,1-3H3.
What are the key properties of 2-(4-ethylphenyl)-1-(propylamino)butan-2-ol?
2-(4-ethylphenyl)-1-(propylamino)butan-2-ol has a molecular weight of 235.37 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-1-(propylamino)butan-2-ol is sourced from PubChem (CID 62773198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).