4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butan-1-ol

C16H27NO2 — CID 26649

IUPAC4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butan-1-ol
SMILESCCN(CCCCO)C(C)Cc1ccc(OC)cc1
InChIInChI=1S/C16H27NO2/c1-4-17(11-5-6-12-18)14(2)13-15-7-9-16(19-3)10-8-15/h7-10,14,18H,4-6,11-13H2,1-3H3
InChIKeyZGZAPRVKIAFOPL-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.72
Rot. Bonds9

About 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butan-1-ol

4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butan-1-ol (PubChem CID 26649) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butan-1-ol.

Molecular Properties

Compound Name4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butan-1-ol
PubChem CID26649
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butan-1-ol
SMILESCCN(CCCCO)C(C)Cc1ccc(OC)cc1
InChIInChI=1S/C16H27NO2/c1-4-17(11-5-6-12-18)14(2)13-15-7-9-16(19-3)10-8-15/h7-10,14,18H,4-6,11-13H2,1-3H3
InChIKeyZGZAPRVKIAFOPL-UHFFFAOYSA-N
XLogP2.72
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butan-1-ol?
The IUPAC name of 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butan-1-ol (CID 26649) is 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butan-1-ol.
What is the SMILES notation for 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butan-1-ol?
The canonical SMILES for 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butan-1-ol is CCN(CCCCO)C(C)Cc1ccc(OC)cc1.
What is the InChIKey of 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butan-1-ol?
The InChIKey is ZGZAPRVKIAFOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-17(11-5-6-12-18)14(2)13-15-7-9-16(19-3)10-8-15/h7-10,14,18H,4-6,11-13H2,1-3H3.
What are the key properties of 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butan-1-ol?
4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 2.72, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butan-1-ol is sourced from PubChem (CID 26649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).