1-(4-butan-2-yloxy-2-fluorophenyl)-N-ethylethanamine

C14H22FNO — CID 107717175

IUPAC1-(4-butan-2-yloxy-2-fluorophenyl)-N-ethylethanamine
SMILESCCNC(C)c1ccc(OC(C)CC)cc1F
InChIInChI=1S/C14H22FNO/c1-5-10(3)17-12-7-8-13(14(15)9-12)11(4)16-6-2/h7-11,16H,5-6H2,1-4H3
InChIKeyYEIDLWYMIIXWOF-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.67
Rot. Bonds6

About 1-(4-butan-2-yloxy-2-fluorophenyl)-N-ethylethanamine

1-(4-butan-2-yloxy-2-fluorophenyl)-N-ethylethanamine (PubChem CID 107717175) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 1-(4-butan-2-yloxy-2-fluorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(4-butan-2-yloxy-2-fluorophenyl)-N-ethylethanamine
PubChem CID107717175
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name1-(4-butan-2-yloxy-2-fluorophenyl)-N-ethylethanamine
SMILESCCNC(C)c1ccc(OC(C)CC)cc1F
InChIInChI=1S/C14H22FNO/c1-5-10(3)17-12-7-8-13(14(15)9-12)11(4)16-6-2/h7-11,16H,5-6H2,1-4H3
InChIKeyYEIDLWYMIIXWOF-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]butan-2-ol
CID 107717129
N-[1-[2-fluoro-4-(1-methoxypropan-2-yloxy)phenyl]ethyl]propan-1-amine
CID 107717617
1-(2-fluoro-4-pentan-2-yloxyphenyl)-N-methylethanamine
CID 107891171
2-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-N,N-dimethylacetamide
CID 107717208
1-[4-(2-butoxyethoxy)-2-fluorophenyl]-N-ethylethanamine
CID 107717524
N-ethyl-1-[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 107717110
1-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-2,3-dimethylbutan-2-ol
CID 107717321
N-ethyl-1-[2-fluoro-4-(3-methylbut-3-enoxy)phenyl]ethanamine
CID 107717423
(1R)-1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-ethylethanamine
CID 93007249
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-2-methylbutan-1-amine
CID 55108756
2-[3-fluoro-4-[1-(propylamino)ethyl]phenoxy]butanenitrile
CID 107717983
1-[4-[(Z)-2,3-dichloroprop-2-enoxy]-2-fluorophenyl]-N-ethylethanamine
CID 107717512

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-yloxy-2-fluorophenyl)-N-ethylethanamine?
The IUPAC name of 1-(4-butan-2-yloxy-2-fluorophenyl)-N-ethylethanamine (CID 107717175) is 1-(4-butan-2-yloxy-2-fluorophenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(4-butan-2-yloxy-2-fluorophenyl)-N-ethylethanamine?
The canonical SMILES for 1-(4-butan-2-yloxy-2-fluorophenyl)-N-ethylethanamine is CCNC(C)c1ccc(OC(C)CC)cc1F.
What is the InChIKey of 1-(4-butan-2-yloxy-2-fluorophenyl)-N-ethylethanamine?
The InChIKey is YEIDLWYMIIXWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-5-10(3)17-12-7-8-13(14(15)9-12)11(4)16-6-2/h7-11,16H,5-6H2,1-4H3.
What are the key properties of 1-(4-butan-2-yloxy-2-fluorophenyl)-N-ethylethanamine?
1-(4-butan-2-yloxy-2-fluorophenyl)-N-ethylethanamine has a molecular weight of 239.33 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-yloxy-2-fluorophenyl)-N-ethylethanamine is sourced from PubChem (CID 107717175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).