2-[(2,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]ethanol

C14H23NO4 — CID 115613643

IUPAC2-[(2,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]ethanol
SMILESCOCCN(CCO)Cc1cc(OC)ccc1OC
InChIInChI=1S/C14H23NO4/c1-17-9-7-15(6-8-16)11-12-10-13(18-2)4-5-14(12)19-3/h4-5,10,16H,6-9,11H2,1-3H3
InChIKeyRIIVABQIDSWOHB-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.14
Rot. Bonds9

About 2-[(2,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]ethanol

2-[(2,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]ethanol (PubChem CID 115613643) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[(2,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(2,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]ethanol
PubChem CID115613643
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name2-[(2,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]ethanol
SMILESCOCCN(CCO)Cc1cc(OC)ccc1OC
InChIInChI=1S/C14H23NO4/c1-17-9-7-15(6-8-16)11-12-10-13(18-2)4-5-14(12)19-3/h4-5,10,16H,6-9,11H2,1-3H3
InChIKeyRIIVABQIDSWOHB-UHFFFAOYSA-N
XLogP1.14
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]acetic acid
CID 39382765
2-[(5-bromo-2-methoxyphenyl)methyl-(2-hydroxyethyl)amino]ethanol
CID 30983525
N-[(2-bromo-5-methoxyphenyl)methyl]-N-(2-chloroethyl)-2-methoxyethanamine
CID 113468132
2-[(2-chloro-3-pyridinyl)methyl-[(2,5-dimethoxyphenyl)methyl]amino]ethanol
CID 111113631
2-[(2-bromo-5-methoxyphenyl)methyl-propylamino]ethanol
CID 65326713
5-methoxy-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]phenol
CID 82978309
3-[[(2,5-dimethoxyphenyl)methyl-(2-hydroxyethyl)amino]methyl]benzoic acid
CID 122029074
methyl 3-[(2-bromo-5-methoxyphenyl)methyl-(2-methoxyethyl)amino]propanoate
CID 115536450
2-[(2,4-dimethoxyphenyl)methyl-(pyridin-2-ylmethyl)amino]ethanol
CID 111116702
2-[2-methoxyethyl(naphthalen-1-ylmethyl)amino]ethanol
CID 111103161
2-[(5-chloro-2-methoxyphenyl)methyl-ethylamino]ethanol
CID 60686064
3-[bis(2-methoxyethyl)amino]-1-(2,5-dimethoxyphenyl)propan-1-ol
CID 110830674

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]ethanol?
The IUPAC name of 2-[(2,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]ethanol (CID 115613643) is 2-[(2,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]ethanol.
What is the SMILES notation for 2-[(2,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]ethanol?
The canonical SMILES for 2-[(2,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]ethanol is COCCN(CCO)Cc1cc(OC)ccc1OC.
What is the InChIKey of 2-[(2,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]ethanol?
The InChIKey is RIIVABQIDSWOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-17-9-7-15(6-8-16)11-12-10-13(18-2)4-5-14(12)19-3/h4-5,10,16H,6-9,11H2,1-3H3.
What are the key properties of 2-[(2,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]ethanol?
2-[(2,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]ethanol has a molecular weight of 269.34 g/mol, XLogP of 1.14, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]ethanol is sourced from PubChem (CID 115613643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).