1-amino-1-[2-fluoro-4-(2-methylpentoxy)phenyl]-2-methylpropan-2-ol

C16H26FNO2 — CID 170640580

IUPAC1-amino-1-[2-fluoro-4-(2-methylpentoxy)phenyl]-2-methylpropan-2-ol
SMILESCCCC(C)COc1ccc(C(N)C(C)(C)O)c(F)c1
InChIInChI=1S/C16H26FNO2/c1-5-6-11(2)10-20-12-7-8-13(14(17)9-12)15(18)16(3,4)19/h7-9,11,15,19H,5-6,10,18H2,1-4H3
InChIKeyUEODJBUPSQRXTE-UHFFFAOYSA-N
MW283.39 g/mol
LogP3.41
Rot. Bonds7

About 1-amino-1-[2-fluoro-4-(2-methylpentoxy)phenyl]-2-methylpropan-2-ol

1-amino-1-[2-fluoro-4-(2-methylpentoxy)phenyl]-2-methylpropan-2-ol (PubChem CID 170640580) has the molecular formula C16H26FNO2 and a molecular weight of 283.39 g/mol. Its IUPAC name is 1-amino-1-[2-fluoro-4-(2-methylpentoxy)phenyl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-amino-1-[2-fluoro-4-(2-methylpentoxy)phenyl]-2-methylpropan-2-ol
PubChem CID170640580
Molecular FormulaC16H26FNO2
Molecular Weight283.39 g/mol
Exact Mass283.19
IUPAC Name1-amino-1-[2-fluoro-4-(2-methylpentoxy)phenyl]-2-methylpropan-2-ol
SMILESCCCC(C)COc1ccc(C(N)C(C)(C)O)c(F)c1
InChIInChI=1S/C16H26FNO2/c1-5-6-11(2)10-20-12-7-8-13(14(17)9-12)15(18)16(3,4)19/h7-9,11,15,19H,5-6,10,18H2,1-4H3
InChIKeyUEODJBUPSQRXTE-UHFFFAOYSA-N
XLogP3.41
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-fluoro-4-(2-methylbutoxy)phenyl]ethanamine
CID 107718803
1-[2-chloro-4-(2-methylpentoxy)phenyl]ethanamine
CID 103284016
2-bromo-1-fluoro-4-(2-methylpentoxy)benzene
CID 83233407
4-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-2-methylbutan-2-ol
CID 107718883
(1S)-1-(2-fluoro-4-pentan-2-yloxyphenyl)ethanamine
CID 107891175
2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]ethanol
CID 107718833
1-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-3-methoxypropan-2-ol
CID 107718953
(1R)-2-methoxy-2-methyl-1-[4-(2-methylpentoxy)phenyl]propan-1-amine
CID 170640517
1-(2-fluoro-4-heptoxyphenyl)ethanamine
CID 107715824
(1R)-1-(2-fluoro-4-hexoxyphenyl)ethanamine
CID 107718481
1-[3-fluoro-4-(1-hydroxyethyl)phenoxy]-3,3-dimethylbutan-2-ol
CID 114265291
(1R)-1-[4-(2,4-dimethylpentoxy)-2-fluorophenyl]ethanol
CID 114200318

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-[2-fluoro-4-(2-methylpentoxy)phenyl]-2-methylpropan-2-ol?
The IUPAC name of 1-amino-1-[2-fluoro-4-(2-methylpentoxy)phenyl]-2-methylpropan-2-ol (CID 170640580) is 1-amino-1-[2-fluoro-4-(2-methylpentoxy)phenyl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-amino-1-[2-fluoro-4-(2-methylpentoxy)phenyl]-2-methylpropan-2-ol?
The canonical SMILES for 1-amino-1-[2-fluoro-4-(2-methylpentoxy)phenyl]-2-methylpropan-2-ol is CCCC(C)COc1ccc(C(N)C(C)(C)O)c(F)c1.
What is the InChIKey of 1-amino-1-[2-fluoro-4-(2-methylpentoxy)phenyl]-2-methylpropan-2-ol?
The InChIKey is UEODJBUPSQRXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO2/c1-5-6-11(2)10-20-12-7-8-13(14(17)9-12)15(18)16(3,4)19/h7-9,11,15,19H,5-6,10,18H2,1-4H3.
What are the key properties of 1-amino-1-[2-fluoro-4-(2-methylpentoxy)phenyl]-2-methylpropan-2-ol?
1-amino-1-[2-fluoro-4-(2-methylpentoxy)phenyl]-2-methylpropan-2-ol has a molecular weight of 283.39 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-[2-fluoro-4-(2-methylpentoxy)phenyl]-2-methylpropan-2-ol is sourced from PubChem (CID 170640580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).