2-ethoxy-4-[[2-methoxyethyl(pentan-3-yl)amino]methyl]phenol

C17H29NO3 — CID 82958280

IUPAC2-ethoxy-4-[[2-methoxyethyl(pentan-3-yl)amino]methyl]phenol
SMILESCCOc1cc(CN(CCOC)C(CC)CC)ccc1O
InChIInChI=1S/C17H29NO3/c1-5-15(6-2)18(10-11-20-4)13-14-8-9-16(19)17(12-14)21-7-3/h8-9,12,15,19H,5-7,10-11,13H2,1-4H3
InChIKeyJVFFRCOMWRDEFQ-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.43
Rot. Bonds10

About 2-ethoxy-4-[[2-methoxyethyl(pentan-3-yl)amino]methyl]phenol

2-ethoxy-4-[[2-methoxyethyl(pentan-3-yl)amino]methyl]phenol (PubChem CID 82958280) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 2-ethoxy-4-[[2-methoxyethyl(pentan-3-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-4-[[2-methoxyethyl(pentan-3-yl)amino]methyl]phenol
PubChem CID82958280
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name2-ethoxy-4-[[2-methoxyethyl(pentan-3-yl)amino]methyl]phenol
SMILESCCOc1cc(CN(CCOC)C(CC)CC)ccc1O
InChIInChI=1S/C17H29NO3/c1-5-15(6-2)18(10-11-20-4)13-14-8-9-16(19)17(12-14)21-7-3/h8-9,12,15,19H,5-7,10-11,13H2,1-4H3
InChIKeyJVFFRCOMWRDEFQ-UHFFFAOYSA-N
XLogP3.43
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-4-[[2-methoxyethyl(propan-2-yl)amino]methyl]phenol
CID 82983167
2-bromo-4-[[2-methoxyethyl(pentan-3-yl)amino]methyl]phenol
CID 82986263
4-[[butan-2-yl(2-methoxyethyl)amino]methyl]-2-methoxyphenol
CID 82986315
4-[[bis(2-methylpropyl)amino]methyl]-2-ethoxyphenol
CID 82982111
2-bromo-4-[[butan-2-yl(2-methoxyethyl)amino]methyl]phenol
CID 82985781
2-methoxy-5-[[2-methoxyethyl(pentan-3-yl)amino]methyl]benzonitrile
CID 65344071
2-ethoxy-4-[[methyl(2-methylpropyl)amino]methyl]phenol
CID 82976727
4-[[3-aminopropyl(methyl)amino]methyl]-2-ethoxyphenol
CID 113285683
N-(2-methoxyethyl)-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]pentan-3-amine
CID 105347567
2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-6-methylpyridin-3-ol
CID 82986415
2-ethoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol
CID 82980817
6-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-1,3-benzothiazol-2-amine
CID 65348426

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[[2-methoxyethyl(pentan-3-yl)amino]methyl]phenol?
The IUPAC name of 2-ethoxy-4-[[2-methoxyethyl(pentan-3-yl)amino]methyl]phenol (CID 82958280) is 2-ethoxy-4-[[2-methoxyethyl(pentan-3-yl)amino]methyl]phenol.
What is the SMILES notation for 2-ethoxy-4-[[2-methoxyethyl(pentan-3-yl)amino]methyl]phenol?
The canonical SMILES for 2-ethoxy-4-[[2-methoxyethyl(pentan-3-yl)amino]methyl]phenol is CCOc1cc(CN(CCOC)C(CC)CC)ccc1O.
What is the InChIKey of 2-ethoxy-4-[[2-methoxyethyl(pentan-3-yl)amino]methyl]phenol?
The InChIKey is JVFFRCOMWRDEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-5-15(6-2)18(10-11-20-4)13-14-8-9-16(19)17(12-14)21-7-3/h8-9,12,15,19H,5-7,10-11,13H2,1-4H3.
What are the key properties of 2-ethoxy-4-[[2-methoxyethyl(pentan-3-yl)amino]methyl]phenol?
2-ethoxy-4-[[2-methoxyethyl(pentan-3-yl)amino]methyl]phenol has a molecular weight of 295.42 g/mol, XLogP of 3.43, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[[2-methoxyethyl(pentan-3-yl)amino]methyl]phenol is sourced from PubChem (CID 82958280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).