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

C14H22FNO — CID 112588597

IUPAC2-(4-fluorophenyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
SMILESCC(C)(C)OCCNCCc1ccc(F)cc1
InChIInChI=1S/C14H22FNO/c1-14(2,3)17-11-10-16-9-8-12-4-6-13(15)7-5-12/h4-7,16H,8-11H2,1-3H3
InChIKeyXYFMLZPQNBGPLD-UHFFFAOYSA-N
MW239.33 g/mol
LogP2.77
Rot. Bonds6

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

2-(4-fluorophenyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine (PubChem CID 112588597) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
PubChem CID112588597
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name2-(4-fluorophenyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
SMILESCC(C)(C)OCCNCCc1ccc(F)cc1
InChIInChI=1S/C14H22FNO/c1-14(2,3)17-11-10-16-9-8-12-4-6-13(15)7-5-12/h4-7,16H,8-11H2,1-3H3
InChIKeyXYFMLZPQNBGPLD-UHFFFAOYSA-N
XLogP2.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 52.77
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

1-fluoro-4-[3-[(2-methylpropan-2-yl)oxy]propyl]benzene
CID 67023424
N-[2-(4-fluorophenyl)ethyl]-3,3-dimethylbutan-1-amine
CID 60687515
N-[2-(4-fluorophenyl)ethyl]-4,4-dimethylpentan-1-amine
CID 114209362
1-N-[2-(4-fluorophenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222407
N-[2-(4-fluorophenyl)ethyl]heptan-1-amine
CID 43129180
[2-(4-fluorophenyl)ethylamino]methanol
CID 69360802
N-(2-ethylsulfonylethyl)-2-(4-fluorophenyl)ethanamine
CID 43807567
2-[[2-(4-fluorophenyl)ethylamino]methyl]-2-methylbutan-1-ol
CID 81410771
N-[2-(4-fluorophenyl)ethyl]-4-methylsulfanylbutan-1-amine
CID 103953532
2-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine
CID 62724025
2-(4-fluorophenyl)-N-[2-(5-methoxythiophen-3-yl)ethyl]ethanamine
CID 10265619
1-(4-fluorophenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol
CID 66037529

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine?
The IUPAC name of 2-(4-fluorophenyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine (CID 112588597) is 2-(4-fluorophenyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine?
The canonical SMILES for 2-(4-fluorophenyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine is CC(C)(C)OCCNCCc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine?
The InChIKey is XYFMLZPQNBGPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-14(2,3)17-11-10-16-9-8-12-4-6-13(15)7-5-12/h4-7,16H,8-11H2,1-3H3.
What are the key properties of 2-(4-fluorophenyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine?
2-(4-fluorophenyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine has a molecular weight of 239.33 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine is sourced from PubChem (CID 112588597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).