1-[3-fluoro-4-[2-(3-methylbutoxy)ethoxy]phenyl]propan-2-amine

C16H26FNO2 — CID 107693080

IUPAC1-[3-fluoro-4-[2-(3-methylbutoxy)ethoxy]phenyl]propan-2-amine
SMILESCC(C)CCOCCOc1ccc(CC(C)N)cc1F
InChIInChI=1S/C16H26FNO2/c1-12(2)6-7-19-8-9-20-16-5-4-14(10-13(3)18)11-15(16)17/h4-5,11-13H,6-10,18H2,1-3H3
InChIKeyAMTDQIRWHBMKFH-UHFFFAOYSA-N
MW283.39 g/mol
LogP3.16
Rot. Bonds9

About 1-[3-fluoro-4-[2-(3-methylbutoxy)ethoxy]phenyl]propan-2-amine

1-[3-fluoro-4-[2-(3-methylbutoxy)ethoxy]phenyl]propan-2-amine (PubChem CID 107693080) has the molecular formula C16H26FNO2 and a molecular weight of 283.39 g/mol. Its IUPAC name is 1-[3-fluoro-4-[2-(3-methylbutoxy)ethoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-fluoro-4-[2-(3-methylbutoxy)ethoxy]phenyl]propan-2-amine
PubChem CID107693080
Molecular FormulaC16H26FNO2
Molecular Weight283.39 g/mol
Exact Mass283.19
IUPAC Name1-[3-fluoro-4-[2-(3-methylbutoxy)ethoxy]phenyl]propan-2-amine
SMILESCC(C)CCOCCOc1ccc(CC(C)N)cc1F
InChIInChI=1S/C16H26FNO2/c1-12(2)6-7-19-8-9-20-16-5-4-14(10-13(3)18)11-15(16)17/h4-5,11-13H,6-10,18H2,1-3H3
InChIKeyAMTDQIRWHBMKFH-UHFFFAOYSA-N
XLogP3.16
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 53.16
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

1-[3-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]propan-2-amine
CID 107693186
1-(3-fluoro-4-hexoxyphenyl)propan-2-amine
CID 107693191
1-(3-fluoro-4-nonoxyphenyl)propan-2-amine
CID 107693028
2-[4-(2-aminopropyl)-2-fluorophenoxy]acetamide
CID 107693025
1-(3-fluoro-4-phenylmethoxyphenyl)propan-2-amine
CID 23037612
1-[3-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine
CID 107692963
5-fluoro-2-[2-(3-methylbutoxy)ethoxy]aniline
CID 62368345
1-[4-[2-(2-chloroethoxy)ethoxy]-3-methoxyphenyl]propan-2-amine
CID 170864453
1-[3,5-difluoro-4-[2-(2-methylpropoxy)ethoxy]phenyl]propan-2-amine
CID 106455652
N-[[3-fluoro-4-(3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 107688358
1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine
CID 62601628
2-[3-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine
CID 107692822

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-[2-(3-methylbutoxy)ethoxy]phenyl]propan-2-amine?
The IUPAC name of 1-[3-fluoro-4-[2-(3-methylbutoxy)ethoxy]phenyl]propan-2-amine (CID 107693080) is 1-[3-fluoro-4-[2-(3-methylbutoxy)ethoxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-fluoro-4-[2-(3-methylbutoxy)ethoxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[3-fluoro-4-[2-(3-methylbutoxy)ethoxy]phenyl]propan-2-amine is CC(C)CCOCCOc1ccc(CC(C)N)cc1F.
What is the InChIKey of 1-[3-fluoro-4-[2-(3-methylbutoxy)ethoxy]phenyl]propan-2-amine?
The InChIKey is AMTDQIRWHBMKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO2/c1-12(2)6-7-19-8-9-20-16-5-4-14(10-13(3)18)11-15(16)17/h4-5,11-13H,6-10,18H2,1-3H3.
What are the key properties of 1-[3-fluoro-4-[2-(3-methylbutoxy)ethoxy]phenyl]propan-2-amine?
1-[3-fluoro-4-[2-(3-methylbutoxy)ethoxy]phenyl]propan-2-amine has a molecular weight of 283.39 g/mol, XLogP of 3.16, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-[2-(3-methylbutoxy)ethoxy]phenyl]propan-2-amine is sourced from PubChem (CID 107693080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).