1-(2-fluoro-4-pentan-2-yloxyphenyl)-N-methylethanamine

C14H22FNO — CID 107891171

IUPAC1-(2-fluoro-4-pentan-2-yloxyphenyl)-N-methylethanamine
SMILESCCCC(C)Oc1ccc(C(C)NC)c(F)c1
InChIInChI=1S/C14H22FNO/c1-5-6-10(2)17-12-7-8-13(11(3)16-4)14(15)9-12/h7-11,16H,5-6H2,1-4H3
InChIKeyIAEBTISJKHNFNY-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.67
Rot. Bonds6

About 1-(2-fluoro-4-pentan-2-yloxyphenyl)-N-methylethanamine

1-(2-fluoro-4-pentan-2-yloxyphenyl)-N-methylethanamine (PubChem CID 107891171) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 1-(2-fluoro-4-pentan-2-yloxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2-fluoro-4-pentan-2-yloxyphenyl)-N-methylethanamine
PubChem CID107891171
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name1-(2-fluoro-4-pentan-2-yloxyphenyl)-N-methylethanamine
SMILESCCCC(C)Oc1ccc(C(C)NC)c(F)c1
InChIInChI=1S/C14H22FNO/c1-5-6-10(2)17-12-7-8-13(11(3)16-4)14(15)9-12/h7-11,16H,5-6H2,1-4H3
InChIKeyIAEBTISJKHNFNY-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

(1S)-1-(2-fluoro-4-pentan-2-yloxyphenyl)ethanamine
CID 107891175
3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]butan-2-ol
CID 107716497
1-(4-butan-2-yloxy-2-fluorophenyl)-N-ethylethanamine
CID 107717175
1-[4-(2-ethylhexoxy)-2-fluorophenyl]-N-methylethanamine
CID 107716594
trifluoro-(2-fluoro-4-pentan-2-yloxyphenyl)boranuide
CID 107896223
2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-N-methylacetamide
CID 107716600
N-[1-[2-fluoro-4-(1-methoxypropan-2-yloxy)phenyl]ethyl]propan-1-amine
CID 107717617
3-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]butan-2-ol
CID 107717129
1-[2-fluoro-4-(4-methoxybutoxy)phenyl]-N-methylethanamine
CID 107716952
1-[4-[2-(diethylamino)ethoxy]-2-fluorophenyl]-N-methylethanamine
CID 107716917
N-butan-2-yl-2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]acetamide
CID 107716470
3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-2-methylpropanamide
CID 107716852

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-pentan-2-yloxyphenyl)-N-methylethanamine?
The IUPAC name of 1-(2-fluoro-4-pentan-2-yloxyphenyl)-N-methylethanamine (CID 107891171) is 1-(2-fluoro-4-pentan-2-yloxyphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2-fluoro-4-pentan-2-yloxyphenyl)-N-methylethanamine?
The canonical SMILES for 1-(2-fluoro-4-pentan-2-yloxyphenyl)-N-methylethanamine is CCCC(C)Oc1ccc(C(C)NC)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-pentan-2-yloxyphenyl)-N-methylethanamine?
The InChIKey is IAEBTISJKHNFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-5-6-10(2)17-12-7-8-13(11(3)16-4)14(15)9-12/h7-11,16H,5-6H2,1-4H3.
What are the key properties of 1-(2-fluoro-4-pentan-2-yloxyphenyl)-N-methylethanamine?
1-(2-fluoro-4-pentan-2-yloxyphenyl)-N-methylethanamine 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-(2-fluoro-4-pentan-2-yloxyphenyl)-N-methylethanamine is sourced from PubChem (CID 107891171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).