1-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine

C14H23NO2 — CID 112587902

IUPAC1-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
SMILESCC(N)c1cccc(OCCOC(C)(C)C)c1
InChIInChI=1S/C14H23NO2/c1-11(15)12-6-5-7-13(10-12)16-8-9-17-14(2,3)4/h5-7,10-11H,8-9,15H2,1-4H3
InChIKeyHKNBNBMFWPAXFC-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.90
Rot. Bonds5

About 1-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine

1-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine (PubChem CID 112587902) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
PubChem CID112587902
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
SMILESCC(N)c1cccc(OCCOC(C)(C)C)c1
InChIInChI=1S/C14H23NO2/c1-11(15)12-6-5-7-13(10-12)16-8-9-17-14(2,3)4/h5-7,10-11H,8-9,15H2,1-4H3
InChIKeyHKNBNBMFWPAXFC-UHFFFAOYSA-N
XLogP2.90
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-2-amine
CID 112591169
(1S)-1-[3-(3-methylbutoxy)phenyl]ethanamine
CID 30071838
(1S)-1-[3-(2-fluoroethoxy)phenyl]ethanamine
CID 80698499
(1R)-1-[3-(2-propoxyethoxy)phenyl]ethanamine
CID 106450340
(1R)-1-[3-(3,3,3-trifluoropropoxy)phenyl]ethanamine
CID 78996560
1-[3-(4-methoxybutoxy)phenyl]ethanamine
CID 104646853
(1R)-1-[3-(4-methoxybutoxy)phenyl]ethanamine
CID 104647096
2-[2-[3-[(1S)-1-aminoethyl]phenoxy]ethoxy]ethanol
CID 63367420
(1R)-1-[3-(2-tert-butylsulfonylethoxy)phenyl]ethanamine
CID 106722297
5-[3-(1-aminoethyl)phenoxy]-2,2-dimethylpentanenitrile
CID 65256729
3-[3-[(1S)-1-aminoethyl]phenoxy]propanenitrile
CID 55255938
1-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene
CID 141365306

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine?
The IUPAC name of 1-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine (CID 112587902) is 1-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine.
What is the SMILES notation for 1-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine?
The canonical SMILES for 1-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine is CC(N)c1cccc(OCCOC(C)(C)C)c1.
What is the InChIKey of 1-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine?
The InChIKey is HKNBNBMFWPAXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11(15)12-6-5-7-13(10-12)16-8-9-17-14(2,3)4/h5-7,10-11H,8-9,15H2,1-4H3.
What are the key properties of 1-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine?
1-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine has a molecular weight of 237.34 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine is sourced from PubChem (CID 112587902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).