4-[2-(3-ethyl-4-methoxyphenyl)ethylamino]butan-1-ol

C15H25NO2 — CID 115217777

IUPAC4-[2-(3-ethyl-4-methoxyphenyl)ethylamino]butan-1-ol
SMILESCCc1cc(CCNCCCCO)ccc1OC
InChIInChI=1S/C15H25NO2/c1-3-14-12-13(6-7-15(14)18-2)8-10-16-9-4-5-11-17/h6-7,12,16-17H,3-5,8-11H2,1-2H3
InChIKeySMBOHDQHJNSMLU-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.16
Rot. Bonds9

About 4-[2-(3-ethyl-4-methoxyphenyl)ethylamino]butan-1-ol

4-[2-(3-ethyl-4-methoxyphenyl)ethylamino]butan-1-ol (PubChem CID 115217777) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-[2-(3-ethyl-4-methoxyphenyl)ethylamino]butan-1-ol.

Molecular Properties

Compound Name4-[2-(3-ethyl-4-methoxyphenyl)ethylamino]butan-1-ol
PubChem CID115217777
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name4-[2-(3-ethyl-4-methoxyphenyl)ethylamino]butan-1-ol
SMILESCCc1cc(CCNCCCCO)ccc1OC
InChIInChI=1S/C15H25NO2/c1-3-14-12-13(6-7-15(14)18-2)8-10-16-9-4-5-11-17/h6-7,12,16-17H,3-5,8-11H2,1-2H3
InChIKeySMBOHDQHJNSMLU-UHFFFAOYSA-N
XLogP2.16
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.16
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

3-(5-ethyl-2-methoxyphenyl)propan-1-ol
CID 94680036
4-[2-(2,5-dimethoxyphenyl)ethylamino]butan-1-ol
CID 115217746
[1-[[2-(3-ethyl-4-methoxyphenyl)ethylamino]methyl]cyclopropyl]methanol
CID 115243653
N-[2-(3-ethyl-4-methoxyphenyl)ethyl]propanamide
CID 110788746
2-[2-(3-ethyl-4-methoxyphenyl)ethylamino]-3-methylbutan-1-ol
CID 115137703
3-[2-(3,4-diethoxyphenyl)ethylamino]propan-1-ol
CID 82097746
4-[2-(5-ethyl-2-methoxyphenyl)ethylamino]butan-2-one
CID 115235918
N-ethyl-N'-[2-(5-ethyl-2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115206001
N-[2-(3-ethyl-4-methoxyphenyl)ethyl]cyclopropanamine
CID 94682821
2-[2-(3-fluoro-4-methoxyphenyl)ethylamino]ethanol
CID 94681852
2-[2-(3-amino-4-methoxyphenyl)ethylamino]ethanol
CID 82257349
methyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]butanoate
CID 43377806

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-ethyl-4-methoxyphenyl)ethylamino]butan-1-ol?
The IUPAC name of 4-[2-(3-ethyl-4-methoxyphenyl)ethylamino]butan-1-ol (CID 115217777) is 4-[2-(3-ethyl-4-methoxyphenyl)ethylamino]butan-1-ol.
What is the SMILES notation for 4-[2-(3-ethyl-4-methoxyphenyl)ethylamino]butan-1-ol?
The canonical SMILES for 4-[2-(3-ethyl-4-methoxyphenyl)ethylamino]butan-1-ol is CCc1cc(CCNCCCCO)ccc1OC.
What is the InChIKey of 4-[2-(3-ethyl-4-methoxyphenyl)ethylamino]butan-1-ol?
The InChIKey is SMBOHDQHJNSMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-3-14-12-13(6-7-15(14)18-2)8-10-16-9-4-5-11-17/h6-7,12,16-17H,3-5,8-11H2,1-2H3.
What are the key properties of 4-[2-(3-ethyl-4-methoxyphenyl)ethylamino]butan-1-ol?
4-[2-(3-ethyl-4-methoxyphenyl)ethylamino]butan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.16, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-ethyl-4-methoxyphenyl)ethylamino]butan-1-ol is sourced from PubChem (CID 115217777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).