2-(2-cyclobutylethoxy)-1-(4-fluorophenyl)ethanamine

C14H20FNO — CID 114157406

IUPAC2-(2-cyclobutylethoxy)-1-(4-fluorophenyl)ethanamine
SMILESNC(COCCC1CCC1)c1ccc(F)cc1
InChIInChI=1S/C14H20FNO/c15-13-6-4-12(5-7-13)14(16)10-17-9-8-11-2-1-3-11/h4-7,11,14H,1-3,8-10,16H2
InChIKeyODFISBITIXLQCE-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.03
Rot. Bonds6

About 2-(2-cyclobutylethoxy)-1-(4-fluorophenyl)ethanamine

2-(2-cyclobutylethoxy)-1-(4-fluorophenyl)ethanamine (PubChem CID 114157406) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-(2-cyclobutylethoxy)-1-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(2-cyclobutylethoxy)-1-(4-fluorophenyl)ethanamine
PubChem CID114157406
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name2-(2-cyclobutylethoxy)-1-(4-fluorophenyl)ethanamine
SMILESNC(COCCC1CCC1)c1ccc(F)cc1
InChIInChI=1S/C14H20FNO/c15-13-6-4-12(5-7-13)14(16)10-17-9-8-11-2-1-3-11/h4-7,11,14H,1-3,8-10,16H2
InChIKeyODFISBITIXLQCE-UHFFFAOYSA-N
XLogP3.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-cyclobutylethoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 106200916
2-(2-cyclobutylethoxy)-1-(3,4-dimethylphenyl)ethanamine
CID 114157408
2-(2-cyclobutylethoxy)-1-(3,5-dimethylphenyl)ethanamine
CID 106200830
(1R)-2-cyclopropyl-1-(4-fluorophenyl)ethanamine
CID 94248777
2-(2-cyclopropylethoxy)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamine
CID 106200571
2-cyclopropyl-1-(4-fluorophenyl)ethanamine;hydrochloride
CID 131637709
1-[4-(2-cyclohexylethoxy)phenyl]propan-1-amine
CID 54793709
2-(2-cyclobutylethoxy)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 106201119
1-(4-tert-butylphenyl)-2-(cyclopentylmethoxy)ethanamine
CID 66323254
4-[[2-amino-2-(4-fluorophenyl)ethoxy]methyl]piperidine-1-carboxylic acid
CID 142920577
2-(2-cyclobutylethoxy)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 106200897
2-(2-cyclobutylethoxy)-1-(4-propan-2-yloxyphenyl)ethanol
CID 106204040

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutylethoxy)-1-(4-fluorophenyl)ethanamine?
The IUPAC name of 2-(2-cyclobutylethoxy)-1-(4-fluorophenyl)ethanamine (CID 114157406) is 2-(2-cyclobutylethoxy)-1-(4-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(2-cyclobutylethoxy)-1-(4-fluorophenyl)ethanamine?
The canonical SMILES for 2-(2-cyclobutylethoxy)-1-(4-fluorophenyl)ethanamine is NC(COCCC1CCC1)c1ccc(F)cc1.
What is the InChIKey of 2-(2-cyclobutylethoxy)-1-(4-fluorophenyl)ethanamine?
The InChIKey is ODFISBITIXLQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c15-13-6-4-12(5-7-13)14(16)10-17-9-8-11-2-1-3-11/h4-7,11,14H,1-3,8-10,16H2.
What are the key properties of 2-(2-cyclobutylethoxy)-1-(4-fluorophenyl)ethanamine?
2-(2-cyclobutylethoxy)-1-(4-fluorophenyl)ethanamine has a molecular weight of 237.32 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutylethoxy)-1-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 114157406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).