4-ethoxy-2-phenyl-2-(propan-2-ylamino)butan-1-ol

C15H25NO2 — CID 116694277

IUPAC4-ethoxy-2-phenyl-2-(propan-2-ylamino)butan-1-ol
SMILESCCOCCC(CO)(NC(C)C)c1ccccc1
InChIInChI=1S/C15H25NO2/c1-4-18-11-10-15(12-17,16-13(2)3)14-8-6-5-7-9-14/h5-9,13,16-17H,4,10-12H2,1-3H3
InChIKeyZOMVTUZUXCXVFC-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.30
Rot. Bonds8

About 4-ethoxy-2-phenyl-2-(propan-2-ylamino)butan-1-ol

4-ethoxy-2-phenyl-2-(propan-2-ylamino)butan-1-ol (PubChem CID 116694277) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-ethoxy-2-phenyl-2-(propan-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name4-ethoxy-2-phenyl-2-(propan-2-ylamino)butan-1-ol
PubChem CID116694277
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name4-ethoxy-2-phenyl-2-(propan-2-ylamino)butan-1-ol
SMILESCCOCCC(CO)(NC(C)C)c1ccccc1
InChIInChI=1S/C15H25NO2/c1-4-18-11-10-15(12-17,16-13(2)3)14-8-6-5-7-9-14/h5-9,13,16-17H,4,10-12H2,1-3H3
InChIKeyZOMVTUZUXCXVFC-UHFFFAOYSA-N
XLogP2.30
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-cyclopentyloxy-2-phenyl-2-(propan-2-ylamino)butan-1-ol
CID 116694241
3-methoxy-2-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 64804504
2-(methylamino)-4-(3-methylbutoxy)-2-phenylbutan-1-ol
CID 116695468
2-(ethylamino)-2-phenyl-4-(2-propan-2-yloxyethoxy)butan-1-ol
CID 116695489
2-(methylamino)-2-phenyl-4-(2-propan-2-yloxyethoxy)butan-1-ol
CID 116695488
4-(3-methylbutylsulfanyl)-2-phenyl-2-(propan-2-ylamino)butan-1-ol
CID 107756327
3-[butan-2-yl(methyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 64798274
3-butan-2-ylsulfanyl-2-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 64820845
4-(3,3-dimethylbutoxy)-2-(methylamino)-2-phenylbutan-1-ol
CID 116695556
4-(2-methoxyethoxy)-2-(methylamino)-2-phenylbutan-1-ol
CID 116695482
4-butan-2-yloxy-2-(ethylamino)-2-phenylbutan-1-ol
CID 116695550
2-(aminomethyl)-4-ethoxy-2-phenylbutan-1-ol
CID 106508031

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-phenyl-2-(propan-2-ylamino)butan-1-ol?
The IUPAC name of 4-ethoxy-2-phenyl-2-(propan-2-ylamino)butan-1-ol (CID 116694277) is 4-ethoxy-2-phenyl-2-(propan-2-ylamino)butan-1-ol.
What is the SMILES notation for 4-ethoxy-2-phenyl-2-(propan-2-ylamino)butan-1-ol?
The canonical SMILES for 4-ethoxy-2-phenyl-2-(propan-2-ylamino)butan-1-ol is CCOCCC(CO)(NC(C)C)c1ccccc1.
What is the InChIKey of 4-ethoxy-2-phenyl-2-(propan-2-ylamino)butan-1-ol?
The InChIKey is ZOMVTUZUXCXVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-18-11-10-15(12-17,16-13(2)3)14-8-6-5-7-9-14/h5-9,13,16-17H,4,10-12H2,1-3H3.
What are the key properties of 4-ethoxy-2-phenyl-2-(propan-2-ylamino)butan-1-ol?
4-ethoxy-2-phenyl-2-(propan-2-ylamino)butan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-phenyl-2-(propan-2-ylamino)butan-1-ol is sourced from PubChem (CID 116694277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).