1-(3-fluoro-2-pentan-2-yloxyphenyl)propan-2-amine

C14H22FNO — CID 114012797

IUPAC1-(3-fluoro-2-pentan-2-yloxyphenyl)propan-2-amine
SMILESCCCC(C)Oc1c(F)cccc1CC(C)N
InChIInChI=1S/C14H22FNO/c1-4-6-11(3)17-14-12(9-10(2)16)7-5-8-13(14)15/h5,7-8,10-11H,4,6,9,16H2,1-3H3
InChIKeyWXLSXTXRNPEOPZ-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.28
Rot. Bonds6

About 1-(3-fluoro-2-pentan-2-yloxyphenyl)propan-2-amine

1-(3-fluoro-2-pentan-2-yloxyphenyl)propan-2-amine (PubChem CID 114012797) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 1-(3-fluoro-2-pentan-2-yloxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-fluoro-2-pentan-2-yloxyphenyl)propan-2-amine
PubChem CID114012797
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name1-(3-fluoro-2-pentan-2-yloxyphenyl)propan-2-amine
SMILESCCCC(C)Oc1c(F)cccc1CC(C)N
InChIInChI=1S/C14H22FNO/c1-4-6-11(3)17-14-12(9-10(2)16)7-5-8-13(14)15/h5,7-8,10-11H,4,6,9,16H2,1-3H3
InChIKeyWXLSXTXRNPEOPZ-UHFFFAOYSA-N
XLogP3.28
TPSA35.25 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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methyl-2-pentan-2-yloxyphenyl)propan-2-amine
CID 107885578
(3-fluoro-2-pentan-2-yloxyphenyl)methanol
CID 107892337
1-(3-fluoro-2-octoxyphenyl)propan-2-amine
CID 115958573
2-[2-(2-aminopropyl)-6-fluorophenoxy]-N-ethylpropanamide
CID 112615920
3-fluoro-2-pentan-2-yloxybenzoic acid
CID 102980945
1-[3-fluoro-2-(3-methoxypropoxy)phenyl]propan-2-amine
CID 112615799
2-[2-(2-aminopropyl)-6-fluorophenoxy]acetonitrile
CID 112615861
1-[2-[(2,4-difluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine
CID 115958685
1-[2-[(2-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine
CID 115958703
1-[3-fluoro-2-[(4-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 115958647
1-(2-but-2-ynoxy-3-fluorophenyl)propan-2-amine
CID 112615813
1-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine
CID 114857545

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-pentan-2-yloxyphenyl)propan-2-amine?
The IUPAC name of 1-(3-fluoro-2-pentan-2-yloxyphenyl)propan-2-amine (CID 114012797) is 1-(3-fluoro-2-pentan-2-yloxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(3-fluoro-2-pentan-2-yloxyphenyl)propan-2-amine?
The canonical SMILES for 1-(3-fluoro-2-pentan-2-yloxyphenyl)propan-2-amine is CCCC(C)Oc1c(F)cccc1CC(C)N.
What is the InChIKey of 1-(3-fluoro-2-pentan-2-yloxyphenyl)propan-2-amine?
The InChIKey is WXLSXTXRNPEOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-4-6-11(3)17-14-12(9-10(2)16)7-5-8-13(14)15/h5,7-8,10-11H,4,6,9,16H2,1-3H3.
What are the key properties of 1-(3-fluoro-2-pentan-2-yloxyphenyl)propan-2-amine?
1-(3-fluoro-2-pentan-2-yloxyphenyl)propan-2-amine has a molecular weight of 239.33 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-pentan-2-yloxyphenyl)propan-2-amine is sourced from PubChem (CID 114012797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).