2-[2-[(3-ethoxy-4-propoxyphenyl)methylamino]ethoxy]ethanol

C16H27NO4 — CID 29227627

IUPAC2-[2-[(3-ethoxy-4-propoxyphenyl)methylamino]ethoxy]ethanol
SMILESCCCOc1ccc(CNCCOCCO)cc1OCC
InChIInChI=1S/C16H27NO4/c1-3-9-21-15-6-5-14(12-16(15)20-4-2)13-17-7-10-19-11-8-18/h5-6,12,17-18H,3-4,7-11,13H2,1-2H3
InChIKeyDIXFDCOPYNKBFG-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.97
Rot. Bonds12

About 2-[2-[(3-ethoxy-4-propoxyphenyl)methylamino]ethoxy]ethanol

2-[2-[(3-ethoxy-4-propoxyphenyl)methylamino]ethoxy]ethanol (PubChem CID 29227627) has the molecular formula C16H27NO4 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[2-[(3-ethoxy-4-propoxyphenyl)methylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(3-ethoxy-4-propoxyphenyl)methylamino]ethoxy]ethanol
PubChem CID29227627
Molecular FormulaC16H27NO4
Molecular Weight297.40 g/mol
Exact Mass297.19
IUPAC Name2-[2-[(3-ethoxy-4-propoxyphenyl)methylamino]ethoxy]ethanol
SMILESCCCOc1ccc(CNCCOCCO)cc1OCC
InChIInChI=1S/C16H27NO4/c1-3-9-21-15-6-5-14(12-16(15)20-4-2)13-17-7-10-19-11-8-18/h5-6,12,17-18H,3-4,7-11,13H2,1-2H3
InChIKeyDIXFDCOPYNKBFG-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

N-[(3-ethoxy-4-propoxyphenyl)methyl]propan-1-amine
CID 2104080
2-[(3-ethoxy-4-pentoxyphenyl)methylamino]ethanol
CID 92921241
2-[(3,4-diethoxyphenyl)methylamino]ethanol;hydrochloride
CID 17291954
4-[2-ethoxy-4-[(2-methoxyethylamino)methyl]phenoxy]butan-1-ol
CID 63056902
2-[4-[[3-(dibutylamino)propylamino]methyl]-2-ethoxyphenoxy]ethanol
CID 29242019
2-[(3-methoxy-4-propoxyphenyl)methylamino]ethanol
CID 29225754
2-[2-[(2-chloro-5-ethoxy-4-propoxyphenyl)methylamino]ethoxy]ethanol
CID 66532270
2-[[4-[2-(dimethylamino)ethoxy]-3-ethoxyphenyl]methylamino]ethanol
CID 39291383
5-[(3,4-diethoxyphenyl)methylamino]pentan-1-ol;hydrochloride
CID 17211681
N-[(3-ethoxy-4-propoxyphenyl)methyl]-2-methylpropan-1-amine
CID 29227521
4-[(3-ethoxy-4-propoxyphenyl)methylamino]-2,2-dimethylbutanoic acid
CID 122126744
2-[2-ethoxy-4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]ethanol
CID 29228432

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-ethoxy-4-propoxyphenyl)methylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(3-ethoxy-4-propoxyphenyl)methylamino]ethoxy]ethanol (CID 29227627) is 2-[2-[(3-ethoxy-4-propoxyphenyl)methylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(3-ethoxy-4-propoxyphenyl)methylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(3-ethoxy-4-propoxyphenyl)methylamino]ethoxy]ethanol is CCCOc1ccc(CNCCOCCO)cc1OCC.
What is the InChIKey of 2-[2-[(3-ethoxy-4-propoxyphenyl)methylamino]ethoxy]ethanol?
The InChIKey is DIXFDCOPYNKBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-3-9-21-15-6-5-14(12-16(15)20-4-2)13-17-7-10-19-11-8-18/h5-6,12,17-18H,3-4,7-11,13H2,1-2H3.
What are the key properties of 2-[2-[(3-ethoxy-4-propoxyphenyl)methylamino]ethoxy]ethanol?
2-[2-[(3-ethoxy-4-propoxyphenyl)methylamino]ethoxy]ethanol 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 2-[2-[(3-ethoxy-4-propoxyphenyl)methylamino]ethoxy]ethanol is sourced from PubChem (CID 29227627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).