4-[2-ethoxy-4-[(2-methoxyethylamino)methyl]phenoxy]butan-1-ol

C16H27NO4 — CID 63056902

IUPAC4-[2-ethoxy-4-[(2-methoxyethylamino)methyl]phenoxy]butan-1-ol
SMILESCCOc1cc(CNCCOC)ccc1OCCCCO
InChIInChI=1S/C16H27NO4/c1-3-20-16-12-14(13-17-8-11-19-2)6-7-15(16)21-10-5-4-9-18/h6-7,12,17-18H,3-5,8-11,13H2,1-2H3
InChIKeyRMAKPYSAUCJLQY-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.97
Rot. Bonds12

About 4-[2-ethoxy-4-[(2-methoxyethylamino)methyl]phenoxy]butan-1-ol

4-[2-ethoxy-4-[(2-methoxyethylamino)methyl]phenoxy]butan-1-ol (PubChem CID 63056902) has the molecular formula C16H27NO4 and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-[2-ethoxy-4-[(2-methoxyethylamino)methyl]phenoxy]butan-1-ol.

Molecular Properties

Compound Name4-[2-ethoxy-4-[(2-methoxyethylamino)methyl]phenoxy]butan-1-ol
PubChem CID63056902
Molecular FormulaC16H27NO4
Molecular Weight297.40 g/mol
Exact Mass297.19
IUPAC Name4-[2-ethoxy-4-[(2-methoxyethylamino)methyl]phenoxy]butan-1-ol
SMILESCCOc1cc(CNCCOC)ccc1OCCCCO
InChIInChI=1S/C16H27NO4/c1-3-20-16-12-14(13-17-8-11-19-2)6-7-15(16)21-10-5-4-9-18/h6-7,12,17-18H,3-5,8-11,13H2,1-2H3
InChIKeyRMAKPYSAUCJLQY-UHFFFAOYSA-N
XLogP1.97
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-ethoxy-4-pentoxyphenyl)methylamino]ethanol
CID 92921241
5-[(3,4-diethoxyphenyl)methylamino]pentan-1-ol;hydrochloride
CID 17211681
4-[2-bromo-4-[(2-methoxyethylamino)methyl]phenoxy]butan-1-ol
CID 63062515
5-[(4-ethoxy-3-methoxyphenyl)methylamino]pentan-1-ol
CID 17206733
6-[(3-ethoxy-4-methoxyphenyl)methylamino]hexan-1-ol
CID 103924096
3-[2-ethoxy-4-[(2-methoxyethylamino)methyl]phenoxy]propanamide
CID 63058251
2-[(3,4-diethoxyphenyl)methylamino]ethanol;hydrochloride
CID 17291954
2-[2-[(3-ethoxy-4-propoxyphenyl)methylamino]ethoxy]ethanol
CID 29227627
3-[2-bromo-4-[(2-methoxyethylamino)methyl]phenoxy]propan-1-ol
CID 55147198
N-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-methoxyethanamine;hydrochloride
CID 17055029
2-[[4-[2-(dimethylamino)ethoxy]-3-ethoxyphenyl]methylamino]ethanol
CID 39291383
2-[4-[[3-(dibutylamino)propylamino]methyl]-2-ethoxyphenoxy]ethanol
CID 29242019

Frequently Asked Questions

What is the IUPAC name of 4-[2-ethoxy-4-[(2-methoxyethylamino)methyl]phenoxy]butan-1-ol?
The IUPAC name of 4-[2-ethoxy-4-[(2-methoxyethylamino)methyl]phenoxy]butan-1-ol (CID 63056902) is 4-[2-ethoxy-4-[(2-methoxyethylamino)methyl]phenoxy]butan-1-ol.
What is the SMILES notation for 4-[2-ethoxy-4-[(2-methoxyethylamino)methyl]phenoxy]butan-1-ol?
The canonical SMILES for 4-[2-ethoxy-4-[(2-methoxyethylamino)methyl]phenoxy]butan-1-ol is CCOc1cc(CNCCOC)ccc1OCCCCO.
What is the InChIKey of 4-[2-ethoxy-4-[(2-methoxyethylamino)methyl]phenoxy]butan-1-ol?
The InChIKey is RMAKPYSAUCJLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-3-20-16-12-14(13-17-8-11-19-2)6-7-15(16)21-10-5-4-9-18/h6-7,12,17-18H,3-5,8-11,13H2,1-2H3.
What are the key properties of 4-[2-ethoxy-4-[(2-methoxyethylamino)methyl]phenoxy]butan-1-ol?
4-[2-ethoxy-4-[(2-methoxyethylamino)methyl]phenoxy]butan-1-ol has a molecular weight of 297.40 g/mol, XLogP of 1.97, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-ethoxy-4-[(2-methoxyethylamino)methyl]phenoxy]butan-1-ol is sourced from PubChem (CID 63056902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).