N-[[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methyl]propan-1-amine

C16H26FNO2 — CID 115953414

IUPACN-[[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(F)c1OCCOC(C)(C)C
InChIInChI=1S/C16H26FNO2/c1-5-9-18-12-13-7-6-8-14(17)15(13)19-10-11-20-16(2,3)4/h6-8,18H,5,9-12H2,1-4H3
InChIKeyBRIARLBLJDQSCF-UHFFFAOYSA-N
MW283.39 g/mol
LogP3.52
Rot. Bonds8

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

N-[[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methyl]propan-1-amine (PubChem CID 115953414) has the molecular formula C16H26FNO2 and a molecular weight of 283.39 g/mol. Its IUPAC name is N-[[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methyl]propan-1-amine
PubChem CID115953414
Molecular FormulaC16H26FNO2
Molecular Weight283.39 g/mol
Exact Mass283.19
IUPAC NameN-[[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(F)c1OCCOC(C)(C)C
InChIInChI=1S/C16H26FNO2/c1-5-9-18-12-13-7-6-8-14(17)15(13)19-10-11-20-16(2,3)4/h6-8,18H,5,9-12H2,1-4H3
InChIKeyBRIARLBLJDQSCF-UHFFFAOYSA-N
XLogP3.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 53.52
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

N-[(2-butoxy-3-fluorophenyl)methyl]propan-1-amine
CID 112609722
N-[[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 115955266
N-[[3-fluoro-2-(3-methylsulfonylpropoxy)phenyl]methyl]propan-1-amine
CID 115953412
5-[2-fluoro-6-(propylaminomethyl)phenoxy]-2,2-dimethylpentanenitrile
CID 115953409
N-[(2-but-3-enoxy-3-fluorophenyl)methyl]propan-1-amine
CID 112609732
N-[(2-but-3-ynoxy-3-fluorophenyl)methyl]propan-1-amine
CID 112609711
N-[[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methyl]propan-1-amine
CID 62455849
[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine
CID 112607929
N-[(3-fluoro-2-pentoxyphenyl)methyl]-2-methoxyethanamine
CID 112610863
N-[[2-[(E)-3-chloroprop-2-enoxy]-3-fluorophenyl]methyl]propan-1-amine
CID 112609714
1-[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]butan-2-amine
CID 115958815
N-[[2-(2-butoxyethoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 115955145

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methyl]propan-1-amine (CID 115953414) is N-[[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methyl]propan-1-amine is CCCNCc1cccc(F)c1OCCOC(C)(C)C.
What is the InChIKey of N-[[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methyl]propan-1-amine?
The InChIKey is BRIARLBLJDQSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO2/c1-5-9-18-12-13-7-6-8-14(17)15(13)19-10-11-20-16(2,3)4/h6-8,18H,5,9-12H2,1-4H3.
What are the key properties of N-[[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methyl]propan-1-amine?
N-[[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methyl]propan-1-amine has a molecular weight of 283.39 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 115953414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).