2-(4-fluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine

C14H22FNO2 — CID 112587194

IUPAC2-(4-fluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine
SMILESCC(C)(C)OCCOC(CN)c1ccc(F)cc1
InChIInChI=1S/C14H22FNO2/c1-14(2,3)18-9-8-17-13(10-16)11-4-6-12(15)7-5-11/h4-7,13H,8-10,16H2,1-3H3
InChIKeySKIZWOPYQDFFDI-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.66
Rot. Bonds6

About 2-(4-fluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine

2-(4-fluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine (PubChem CID 112587194) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine
PubChem CID112587194
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC Name2-(4-fluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine
SMILESCC(C)(C)OCCOC(CN)c1ccc(F)cc1
InChIInChI=1S/C14H22FNO2/c1-14(2,3)18-9-8-17-13(10-16)11-4-6-12(15)7-5-11/h4-7,13H,8-10,16H2,1-3H3
InChIKeySKIZWOPYQDFFDI-UHFFFAOYSA-N
XLogP2.66
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.66
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
2-(4-fluorophenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106446982
2-(4-fluorophenyl)-2-(4,4,4-trifluorobutoxy)ethanamine
CID 82789383
2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(5-methylthiophen-2-yl)ethanamine
CID 112587173
2-(2-bromophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine
CID 112587184
1-fluoro-4-[3-[(2-methylpropan-2-yl)oxy]propyl]benzene
CID 67023424
N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-phenylethyl]propan-2-amine
CID 115942665
2-(4-fluorophenyl)-2-(furan-2-ylmethoxy)ethanamine
CID 55014972
2-[(2-chlorophenyl)methoxy]-2-(4-fluorophenyl)ethanamine
CID 55015171
N-ethyl-1-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 105087874
2-[2-amino-1-[4-(difluoromethyl)phenyl]ethoxy]ethanol
CID 103376913
2-(3-fluorophenyl)-2-(3-methoxy-3-methylbutoxy)ethanamine
CID 106665020

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine?
The IUPAC name of 2-(4-fluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine (CID 112587194) is 2-(4-fluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine.
What is the SMILES notation for 2-(4-fluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine?
The canonical SMILES for 2-(4-fluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine is CC(C)(C)OCCOC(CN)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine?
The InChIKey is SKIZWOPYQDFFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2/c1-14(2,3)18-9-8-17-13(10-16)11-4-6-12(15)7-5-11/h4-7,13H,8-10,16H2,1-3H3.
What are the key properties of 2-(4-fluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine?
2-(4-fluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine has a molecular weight of 255.33 g/mol, XLogP of 2.66, 6 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-methylpropan-2-yl)oxy]ethoxy]ethanamine is sourced from PubChem (CID 112587194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).