N-[[3-fluoro-5-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]propan-2-amine

C16H26FNO3 — CID 103178014

IUPACN-[[3-fluoro-5-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]propan-2-amine
SMILESCOCCCOCCOc1cc(F)cc(CNC(C)C)c1
InChIInChI=1S/C16H26FNO3/c1-13(2)18-12-14-9-15(17)11-16(10-14)21-8-7-20-6-4-5-19-3/h9-11,13,18H,4-8,12H2,1-3H3
InChIKeyRHQLVAFHXOYCCY-UHFFFAOYSA-N
MW299.39 g/mol
LogP2.76
Rot. Bonds11

About N-[[3-fluoro-5-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]propan-2-amine

N-[[3-fluoro-5-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]propan-2-amine (PubChem CID 103178014) has the molecular formula C16H26FNO3 and a molecular weight of 299.39 g/mol. Its IUPAC name is N-[[3-fluoro-5-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-fluoro-5-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]propan-2-amine
PubChem CID103178014
Molecular FormulaC16H26FNO3
Molecular Weight299.39 g/mol
Exact Mass299.19
IUPAC NameN-[[3-fluoro-5-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]propan-2-amine
SMILESCOCCCOCCOc1cc(F)cc(CNC(C)C)c1
InChIInChI=1S/C16H26FNO3/c1-13(2)18-12-14-9-15(17)11-16(10-14)21-8-7-20-6-4-5-19-3/h9-11,13,18H,4-8,12H2,1-3H3
InChIKeyRHQLVAFHXOYCCY-UHFFFAOYSA-N
XLogP2.76
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-fluoro-5-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
CID 103411599
N-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-2-amine
CID 62455428
N-[[6-[2-(3-methoxypropoxy)ethoxy]-3-pyridinyl]methyl]propan-2-amine
CID 103180844
N-[[3-fluoro-5-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 103000028
N-[[3-fluoro-2-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methyl]propan-2-amine
CID 103180864
N-[[4-(3-methoxypropoxymethyl)phenyl]methyl]propan-2-amine
CID 62441668
N-[[3-[3-(2-methoxyethoxy)propoxymethyl]phenyl]methyl]propan-2-amine
CID 103406401
1-(3-chloroprop-1-ynyl)-3-fluoro-5-[2-(3-methoxypropoxy)ethoxy]benzene
CID 103181821
N-[[3-chloro-4-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]propan-2-amine
CID 103409034
N-[[3-(3-methoxypropoxymethyl)phenyl]methyl]propan-2-amine
CID 62442424
1-[3-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]phenyl]-N-methylmethanamine
CID 103181050
N-[[4-[2-(3-methoxypropoxy)ethylsulfanyl]phenyl]methyl]propan-2-amine
CID 103184284

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-5-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-fluoro-5-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]propan-2-amine (CID 103178014) is N-[[3-fluoro-5-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-fluoro-5-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-fluoro-5-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]propan-2-amine is COCCCOCCOc1cc(F)cc(CNC(C)C)c1.
What is the InChIKey of N-[[3-fluoro-5-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]propan-2-amine?
The InChIKey is RHQLVAFHXOYCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO3/c1-13(2)18-12-14-9-15(17)11-16(10-14)21-8-7-20-6-4-5-19-3/h9-11,13,18H,4-8,12H2,1-3H3.
What are the key properties of N-[[3-fluoro-5-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]propan-2-amine?
N-[[3-fluoro-5-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]propan-2-amine has a molecular weight of 299.39 g/mol, XLogP of 2.76, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-5-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 103178014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).