2-[[4-[2-(dimethylamino)ethoxy]-3-ethoxyphenyl]methylamino]ethanol

C15H26N2O3 — CID 39291383

IUPAC2-[[4-[2-(dimethylamino)ethoxy]-3-ethoxyphenyl]methylamino]ethanol
SMILESCCOc1cc(CNCCO)ccc1OCCN(C)C
InChIInChI=1S/C15H26N2O3/c1-4-19-15-11-13(12-16-7-9-18)5-6-14(15)20-10-8-17(2)3/h5-6,11,16,18H,4,7-10,12H2,1-3H3
InChIKeyDUEGOWQCJUZWAT-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.11
Rot. Bonds10

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

2-[[4-[2-(dimethylamino)ethoxy]-3-ethoxyphenyl]methylamino]ethanol (PubChem CID 39291383) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[[4-[2-(dimethylamino)ethoxy]-3-ethoxyphenyl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[4-[2-(dimethylamino)ethoxy]-3-ethoxyphenyl]methylamino]ethanol
PubChem CID39291383
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-[[4-[2-(dimethylamino)ethoxy]-3-ethoxyphenyl]methylamino]ethanol
SMILESCCOc1cc(CNCCO)ccc1OCCN(C)C
InChIInChI=1S/C15H26N2O3/c1-4-19-15-11-13(12-16-7-9-18)5-6-14(15)20-10-8-17(2)3/h5-6,11,16,18H,4,7-10,12H2,1-3H3
InChIKeyDUEGOWQCJUZWAT-UHFFFAOYSA-N
XLogP1.11
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.11
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-[(3,4-diethoxyphenyl)methylamino]ethanol;hydrochloride
CID 17291954
2-[(3-ethoxy-4-pentoxyphenyl)methylamino]ethanol
CID 92921241
3-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-N,N-dimethylpropan-1-amine
CID 92921079
N-[[4-[2-(dimethylamino)ethoxy]-3-ethoxyphenyl]methyl]propan-2-amine
CID 43278203
2-[4-[[3-(dibutylamino)propylamino]methyl]-2-ethoxyphenoxy]ethanol
CID 29242019
4-[2-ethoxy-4-[(2-methoxyethylamino)methyl]phenoxy]butan-1-ol
CID 63056902
2-[2-[(3-ethoxy-4-propoxyphenyl)methylamino]ethoxy]ethanol
CID 29227627
N-[(3-ethoxy-4-propoxyphenyl)methyl]propan-1-amine
CID 2104080
5-[(3,4-diethoxyphenyl)methylamino]pentan-1-ol;hydrochloride
CID 17211681
2-[(3-methoxy-4-propoxyphenyl)methylamino]ethanol
CID 29225754
N-[2-(3,4-diethoxyphenyl)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 82097748
N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine;dihydrochloride
CID 17294947

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(dimethylamino)ethoxy]-3-ethoxyphenyl]methylamino]ethanol?
The IUPAC name of 2-[[4-[2-(dimethylamino)ethoxy]-3-ethoxyphenyl]methylamino]ethanol (CID 39291383) is 2-[[4-[2-(dimethylamino)ethoxy]-3-ethoxyphenyl]methylamino]ethanol.
What is the SMILES notation for 2-[[4-[2-(dimethylamino)ethoxy]-3-ethoxyphenyl]methylamino]ethanol?
The canonical SMILES for 2-[[4-[2-(dimethylamino)ethoxy]-3-ethoxyphenyl]methylamino]ethanol is CCOc1cc(CNCCO)ccc1OCCN(C)C.
What is the InChIKey of 2-[[4-[2-(dimethylamino)ethoxy]-3-ethoxyphenyl]methylamino]ethanol?
The InChIKey is DUEGOWQCJUZWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-4-19-15-11-13(12-16-7-9-18)5-6-14(15)20-10-8-17(2)3/h5-6,11,16,18H,4,7-10,12H2,1-3H3.
What are the key properties of 2-[[4-[2-(dimethylamino)ethoxy]-3-ethoxyphenyl]methylamino]ethanol?
2-[[4-[2-(dimethylamino)ethoxy]-3-ethoxyphenyl]methylamino]ethanol has a molecular weight of 282.38 g/mol, XLogP of 1.11, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(dimethylamino)ethoxy]-3-ethoxyphenyl]methylamino]ethanol is sourced from PubChem (CID 39291383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).