2-ethoxy-1-(2-fluorophenyl)-N,3-dimethylbutan-1-amine

C14H22FNO — CID 116721271

IUPAC2-ethoxy-1-(2-fluorophenyl)-N,3-dimethylbutan-1-amine
SMILESCCOC(C(C)C)C(NC)c1ccccc1F
InChIInChI=1S/C14H22FNO/c1-5-17-14(10(2)3)13(16-4)11-8-6-7-9-12(11)15/h6-10,13-14,16H,5H2,1-4H3
InChIKeyVUUYGTWZPAASDG-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.15
Rot. Bonds6

About 2-ethoxy-1-(2-fluorophenyl)-N,3-dimethylbutan-1-amine

2-ethoxy-1-(2-fluorophenyl)-N,3-dimethylbutan-1-amine (PubChem CID 116721271) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 2-ethoxy-1-(2-fluorophenyl)-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-1-(2-fluorophenyl)-N,3-dimethylbutan-1-amine
PubChem CID116721271
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name2-ethoxy-1-(2-fluorophenyl)-N,3-dimethylbutan-1-amine
SMILESCCOC(C(C)C)C(NC)c1ccccc1F
InChIInChI=1S/C14H22FNO/c1-5-17-14(10(2)3)13(16-4)11-8-6-7-9-12(11)15/h6-10,13-14,16H,5H2,1-4H3
InChIKeyVUUYGTWZPAASDG-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-1-(2-methoxyphenyl)-N,3-dimethylbutan-1-amine
CID 116721106
2-ethoxy-1-isoquinolin-8-yl-N,3-dimethylbutan-1-amine
CID 103143806
1-(2,5-dimethylphenyl)-2-ethoxy-N,3-dimethylbutan-1-amine
CID 116721183
2-ethoxy-N,3-dimethyl-1-(4-propan-2-ylphenyl)butan-1-amine
CID 116721056
N-ethyl-1-(2-fluorophenyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 114282092
1-(2-fluorophenyl)-N,2-dimethylbutane-1,4-diamine
CID 116949640
1-(2-fluorophenyl)-2-methoxy-N,3,3-trimethylbutan-1-amine
CID 116724590
N'-ethyl-1-(2-fluorophenyl)-N,N',2-trimethylpropane-1,3-diamine
CID 112679820
1-(5-bromo-2-fluorophenyl)-2-ethoxy-N-ethyl-3-methylbutan-1-amine
CID 116721383
1-(2-bromo-3-fluorophenyl)-N,2-dimethylbutan-1-amine
CID 105017295
2-[(2-fluorophenyl)-(methylamino)methyl]-3-methylbutanoic acid
CID 116959808
1-(2-chloro-3-fluorophenyl)-3-ethoxy-N,4-dimethylpentan-2-amine
CID 116721172

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(2-fluorophenyl)-N,3-dimethylbutan-1-amine?
The IUPAC name of 2-ethoxy-1-(2-fluorophenyl)-N,3-dimethylbutan-1-amine (CID 116721271) is 2-ethoxy-1-(2-fluorophenyl)-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-ethoxy-1-(2-fluorophenyl)-N,3-dimethylbutan-1-amine?
The canonical SMILES for 2-ethoxy-1-(2-fluorophenyl)-N,3-dimethylbutan-1-amine is CCOC(C(C)C)C(NC)c1ccccc1F.
What is the InChIKey of 2-ethoxy-1-(2-fluorophenyl)-N,3-dimethylbutan-1-amine?
The InChIKey is VUUYGTWZPAASDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-5-17-14(10(2)3)13(16-4)11-8-6-7-9-12(11)15/h6-10,13-14,16H,5H2,1-4H3.
What are the key properties of 2-ethoxy-1-(2-fluorophenyl)-N,3-dimethylbutan-1-amine?
2-ethoxy-1-(2-fluorophenyl)-N,3-dimethylbutan-1-amine has a molecular weight of 239.33 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(2-fluorophenyl)-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 116721271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).