2-[2-[2-[(tert-butylamino)methyl]phenoxy]ethoxy]ethanol

C15H25NO3 — CID 63063933

IUPAC2-[2-[2-[(tert-butylamino)methyl]phenoxy]ethoxy]ethanol
SMILESCC(C)(C)NCc1ccccc1OCCOCCO
InChIInChI=1S/C15H25NO3/c1-15(2,3)16-12-13-6-4-5-7-14(13)19-11-10-18-9-8-17/h4-7,16-17H,8-12H2,1-3H3
InChIKeyMNVXBJRKHTWOGR-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.96
Rot. Bonds8

About 2-[2-[2-[(tert-butylamino)methyl]phenoxy]ethoxy]ethanol

2-[2-[2-[(tert-butylamino)methyl]phenoxy]ethoxy]ethanol (PubChem CID 63063933) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[2-[2-[(tert-butylamino)methyl]phenoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[(tert-butylamino)methyl]phenoxy]ethoxy]ethanol
PubChem CID63063933
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2-[2-[2-[(tert-butylamino)methyl]phenoxy]ethoxy]ethanol
SMILESCC(C)(C)NCc1ccccc1OCCOCCO
InChIInChI=1S/C15H25NO3/c1-15(2,3)16-12-13-6-4-5-7-14(13)19-11-10-18-9-8-17/h4-7,16-17H,8-12H2,1-3H3
InChIKeyMNVXBJRKHTWOGR-UHFFFAOYSA-N
XLogP1.96
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[2-[(tert-butylamino)methyl]phenoxy]ethoxy]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-(3,3-dimethylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63486343
N-[(2-heptoxyphenyl)methyl]-2-methylpropan-2-amine
CID 54847955
2-[2-[[2-[2-[2-[[2-(2-hydroxyethoxy)phenyl]methylamino]ethoxy]ethoxy]ethylamino]methyl]phenoxy]ethanol
CID 102444898
2-methyl-N-[[2-(4,4,4-trifluorobutoxy)phenyl]methyl]propan-2-amine
CID 115513209
N-[[2-(3-methoxy-3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 103032778
2-[2-[2-(2-methoxyphenoxy)ethoxy]ethoxy]ethanol
CID 15049023
2-[2-[2-[2-[2-[2-[2-[2-(2-octylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 20520040
2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 7937412
N-[2-[2-(2-hydroxyethoxy)ethoxy]phenyl]acetamide
CID 61076230
2-[2-[3-[(tert-butylamino)methyl]phenoxy]ethoxy]ethanol
CID 63058258
N-[[2-[2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]methyl]ethanamine
CID 82959122
N-[2-[2-[(tert-butylamino)methyl]phenoxy]ethyl]-N-methylcyclopropanamine
CID 62417039

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(tert-butylamino)methyl]phenoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[(tert-butylamino)methyl]phenoxy]ethoxy]ethanol (CID 63063933) is 2-[2-[2-[(tert-butylamino)methyl]phenoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[(tert-butylamino)methyl]phenoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[(tert-butylamino)methyl]phenoxy]ethoxy]ethanol is CC(C)(C)NCc1ccccc1OCCOCCO.
What is the InChIKey of 2-[2-[2-[(tert-butylamino)methyl]phenoxy]ethoxy]ethanol?
The InChIKey is MNVXBJRKHTWOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-15(2,3)16-12-13-6-4-5-7-14(13)19-11-10-18-9-8-17/h4-7,16-17H,8-12H2,1-3H3.
What are the key properties of 2-[2-[2-[(tert-butylamino)methyl]phenoxy]ethoxy]ethanol?
2-[2-[2-[(tert-butylamino)methyl]phenoxy]ethoxy]ethanol has a molecular weight of 267.37 g/mol, XLogP of 1.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(tert-butylamino)methyl]phenoxy]ethoxy]ethanol is sourced from PubChem (CID 63063933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).