2-(4-fluorophenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine

C14H22FNO2 — CID 106446982

IUPAC2-(4-fluorophenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine
SMILESCC(C)COCCOC(CN)c1ccc(F)cc1
InChIInChI=1S/C14H22FNO2/c1-11(2)10-17-7-8-18-14(9-16)12-3-5-13(15)6-4-12/h3-6,11,14H,7-10,16H2,1-2H3
InChIKeyDKJJUPUGGGTOAK-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.51
Rot. Bonds8

About 2-(4-fluorophenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine

2-(4-fluorophenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine (PubChem CID 106446982) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine
PubChem CID106446982
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC Name2-(4-fluorophenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine
SMILESCC(C)COCCOC(CN)c1ccc(F)cc1
InChIInChI=1S/C14H22FNO2/c1-11(2)10-17-7-8-18-14(9-16)12-3-5-13(15)6-4-12/h3-6,11,14H,7-10,16H2,1-2H3
InChIKeyDKJJUPUGGGTOAK-UHFFFAOYSA-N
XLogP2.51
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.51
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

2-(4-fluorophenyl)-2-(2-propan-2-yloxyethoxy)ethanamine
CID 55015264
1-(4-fluorophenyl)-1-[2-(2-methylpropoxy)ethoxy]propan-2-amine
CID 106447005
2-(4-fluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine
CID 112587194
2-[2-(2-methylpropoxy)ethoxy]-2-pyridin-3-ylethanamine
CID 106446864
2-(4-fluorophenyl)-2-(4,4,4-trifluorobutoxy)ethanamine
CID 82789383
2-(2-methylphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106447029
1-[2-bromo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-fluorobenzene
CID 104565575
1-fluoro-4-[2-iodo-1-(2-propoxyethoxy)ethyl]benzene
CID 114774140
1-fluoro-4-[1-(2-methylpropoxy)ethyl]benzene
CID 91711845
2-(4-fluorophenyl)-N-methyl-2-(2-methylpropoxy)ethanamine
CID 62106160
2-[2-[bis(4-fluorophenyl)methoxy]ethoxy]ethanamine
CID 21187771
2-(4-chlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]ethanamine
CID 103176974

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine?
The IUPAC name of 2-(4-fluorophenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine (CID 106446982) is 2-(4-fluorophenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine.
What is the SMILES notation for 2-(4-fluorophenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine?
The canonical SMILES for 2-(4-fluorophenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine is CC(C)COCCOC(CN)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine?
The InChIKey is DKJJUPUGGGTOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2/c1-11(2)10-17-7-8-18-14(9-16)12-3-5-13(15)6-4-12/h3-6,11,14H,7-10,16H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine?
2-(4-fluorophenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine has a molecular weight of 255.33 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine is sourced from PubChem (CID 106446982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).