2-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methylamino]ethanol

C14H24N2O3 — CID 39289555

IUPAC2-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methylamino]ethanol
SMILESCOc1cccc(CNCCO)c1OCCN(C)C
InChIInChI=1S/C14H24N2O3/c1-16(2)8-10-19-14-12(11-15-7-9-17)5-4-6-13(14)18-3/h4-6,15,17H,7-11H2,1-3H3
InChIKeyCSFLPFXHIOAFPL-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.72
Rot. Bonds9

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

2-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methylamino]ethanol (PubChem CID 39289555) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methylamino]ethanol
PubChem CID39289555
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methylamino]ethanol
SMILESCOc1cccc(CNCCO)c1OCCN(C)C
InChIInChI=1S/C14H24N2O3/c1-16(2)8-10-19-14-12(11-15-7-9-17)5-4-6-13(14)18-3/h4-6,15,17H,7-11H2,1-3H3
InChIKeyCSFLPFXHIOAFPL-UHFFFAOYSA-N
XLogP0.72
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.72
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-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methanol
CID 43471611
2-[(2,3-dimethoxyphenyl)methylamino]ethanol
CID 4717256
2-[[3-methoxy-2-(3-phenylpropoxy)phenyl]methylamino]ethanol
CID 92928362
2-[2-(ethylaminomethyl)-6-methoxyphenoxy]ethanol
CID 43471970
2-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride
CID 2959356
3-[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N,N-dimethylpropan-1-amine
CID 170866694
2-[2-[[2-(dimethylamino)ethylamino]methyl]-6-methoxyphenoxy]acetic acid
CID 102536745
3-[(2-heptoxy-3-methoxyphenyl)methylamino]propan-1-ol
CID 54849124
2-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethanol;hydrochloride
CID 2951461
2-cyano-N-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]acetamide
CID 20984632
2-methoxy-N-[(3-methoxy-2-propoxyphenyl)methyl]ethanamine
CID 39356672
N-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]ethanamine
CID 43471950

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methylamino]ethanol?
The IUPAC name of 2-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methylamino]ethanol (CID 39289555) is 2-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methylamino]ethanol.
What is the SMILES notation for 2-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methylamino]ethanol?
The canonical SMILES for 2-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methylamino]ethanol is COc1cccc(CNCCO)c1OCCN(C)C.
What is the InChIKey of 2-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methylamino]ethanol?
The InChIKey is CSFLPFXHIOAFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-16(2)8-10-19-14-12(11-15-7-9-17)5-4-6-13(14)18-3/h4-6,15,17H,7-11H2,1-3H3.
What are the key properties of 2-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methylamino]ethanol?
2-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methylamino]ethanol has a molecular weight of 268.36 g/mol, XLogP of 0.72, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methylamino]ethanol is sourced from PubChem (CID 39289555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).