2-[1-[2-methoxyethyl(2-methylpropyl)amino]ethyl]benzene-1,3-diol

C15H25NO3 — CID 107711784

IUPAC2-[1-[2-methoxyethyl(2-methylpropyl)amino]ethyl]benzene-1,3-diol
SMILESCOCCN(CC(C)C)C(C)c1c(O)cccc1O
InChIInChI=1S/C15H25NO3/c1-11(2)10-16(8-9-19-4)12(3)15-13(17)6-5-7-14(15)18/h5-7,11-12,17-18H,8-10H2,1-4H3
InChIKeyYPNKEILJTGIMDV-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.76
Rot. Bonds7

About 2-[1-[2-methoxyethyl(2-methylpropyl)amino]ethyl]benzene-1,3-diol

2-[1-[2-methoxyethyl(2-methylpropyl)amino]ethyl]benzene-1,3-diol (PubChem CID 107711784) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[1-[2-methoxyethyl(2-methylpropyl)amino]ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name2-[1-[2-methoxyethyl(2-methylpropyl)amino]ethyl]benzene-1,3-diol
PubChem CID107711784
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2-[1-[2-methoxyethyl(2-methylpropyl)amino]ethyl]benzene-1,3-diol
SMILESCOCCN(CC(C)C)C(C)c1c(O)cccc1O
InChIInChI=1S/C15H25NO3/c1-11(2)10-16(8-9-19-4)12(3)15-13(17)6-5-7-14(15)18/h5-7,11-12,17-18H,8-10H2,1-4H3
InChIKeyYPNKEILJTGIMDV-UHFFFAOYSA-N
XLogP2.76
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-[ethyl(propyl)amino]ethyl]benzene-1,3-diol
CID 107711720
2-[1-[ethyl(2-methoxyethyl)amino]ethyl]phenol
CID 82979119
2-[1-[2-methylpropyl(pentan-3-yl)amino]ethyl]benzene-1,3-diol
CID 107712006
2-[1-(2-methoxyethoxyamino)ethyl]benzene-1,3-diol
CID 107711189
2-chloro-6-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenol
CID 112553488
N-(2-methoxyethyl)-N-(2-methylpropyl)-1-phenyl-N'-propan-2-ylethane-1,2-diamine
CID 62430681
1-(furan-2-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 54986599
2-[1-[butyl(methyl)amino]ethyl]benzene-1,3-diol
CID 107711667
2-[1-[propan-2-yl(propyl)amino]ethyl]benzene-1,3-diol
CID 107711717
2-[2-methoxyethyl(2-methylpropyl)amino]propanamide
CID 62901426
1-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 54986740
2-[2-amino-1-[bis(2-methoxyethyl)amino]ethyl]phenol
CID 82042898

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-methoxyethyl(2-methylpropyl)amino]ethyl]benzene-1,3-diol?
The IUPAC name of 2-[1-[2-methoxyethyl(2-methylpropyl)amino]ethyl]benzene-1,3-diol (CID 107711784) is 2-[1-[2-methoxyethyl(2-methylpropyl)amino]ethyl]benzene-1,3-diol.
What is the SMILES notation for 2-[1-[2-methoxyethyl(2-methylpropyl)amino]ethyl]benzene-1,3-diol?
The canonical SMILES for 2-[1-[2-methoxyethyl(2-methylpropyl)amino]ethyl]benzene-1,3-diol is COCCN(CC(C)C)C(C)c1c(O)cccc1O.
What is the InChIKey of 2-[1-[2-methoxyethyl(2-methylpropyl)amino]ethyl]benzene-1,3-diol?
The InChIKey is YPNKEILJTGIMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-11(2)10-16(8-9-19-4)12(3)15-13(17)6-5-7-14(15)18/h5-7,11-12,17-18H,8-10H2,1-4H3.
What are the key properties of 2-[1-[2-methoxyethyl(2-methylpropyl)amino]ethyl]benzene-1,3-diol?
2-[1-[2-methoxyethyl(2-methylpropyl)amino]ethyl]benzene-1,3-diol has a molecular weight of 267.37 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-methoxyethyl(2-methylpropyl)amino]ethyl]benzene-1,3-diol is sourced from PubChem (CID 107711784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).