1-[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]butan-2-amine

C16H26FNO2 — CID 115958815

IUPAC1-[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(F)c1OCCOC(C)(C)C
InChIInChI=1S/C16H26FNO2/c1-5-13(18)11-12-7-6-8-14(17)15(12)19-9-10-20-16(2,3)4/h6-8,13H,5,9-11,18H2,1-4H3
InChIKeyMPTLGMADUMOKDR-UHFFFAOYSA-N
MW283.39 g/mol
LogP3.30
Rot. Bonds7

About 1-[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]butan-2-amine

1-[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]butan-2-amine (PubChem CID 115958815) has the molecular formula C16H26FNO2 and a molecular weight of 283.39 g/mol. Its IUPAC name is 1-[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]butan-2-amine
PubChem CID115958815
Molecular FormulaC16H26FNO2
Molecular Weight283.39 g/mol
Exact Mass283.19
IUPAC Name1-[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(F)c1OCCOC(C)(C)C
InChIInChI=1S/C16H26FNO2/c1-5-13(18)11-12-7-6-8-14(17)15(12)19-9-10-20-16(2,3)4/h6-8,13H,5,9-11,18H2,1-4H3
InChIKeyMPTLGMADUMOKDR-UHFFFAOYSA-N
XLogP3.30
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine
CID 112607929
1-(2-but-3-ynoxy-3-fluorophenyl)butan-2-amine
CID 112615990
1-[3-fluoro-2-[(2-fluorophenyl)methoxy]phenyl]butan-2-amine
CID 115958788
1-[3-fluoro-2-(2-propylsulfonylethoxy)phenyl]butan-2-amine
CID 106728472
3-[2-(2-aminobutyl)-6-fluorophenoxy]-2,2-dimethylpropanoic acid
CID 115958830
N-[[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methyl]propan-1-amine
CID 115953414
1-[2-[(2-bromophenyl)methoxy]-3-fluorophenyl]butan-2-amine
CID 115958837
N-[[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 115955266
1-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]butan-2-amine
CID 115958198
2-[2-(2-aminobutyl)-6-fluorophenoxy]propanoic acid
CID 112616003
1-[2-[(1-ethylpyrazol-4-yl)methoxy]-3-fluorophenyl]butan-2-amine
CID 115958814
1-[3-fluoro-2-(oxan-4-ylmethoxy)phenyl]butan-2-amine
CID 115958778

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]butan-2-amine?
The IUPAC name of 1-[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]butan-2-amine (CID 115958815) is 1-[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]butan-2-amine.
What is the SMILES notation for 1-[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]butan-2-amine?
The canonical SMILES for 1-[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]butan-2-amine is CCC(N)Cc1cccc(F)c1OCCOC(C)(C)C.
What is the InChIKey of 1-[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]butan-2-amine?
The InChIKey is MPTLGMADUMOKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO2/c1-5-13(18)11-12-7-6-8-14(17)15(12)19-9-10-20-16(2,3)4/h6-8,13H,5,9-11,18H2,1-4H3.
What are the key properties of 1-[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]butan-2-amine?
1-[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]butan-2-amine has a molecular weight of 283.39 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]butan-2-amine is sourced from PubChem (CID 115958815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).