N-[[2-(3-fluorophenoxy)phenyl]methyl]propan-1-amine

C16H18FNO — CID 43283339

IUPACN-[[2-(3-fluorophenoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1Oc1cccc(F)c1
InChIInChI=1S/C16H18FNO/c1-2-10-18-12-13-6-3-4-9-16(13)19-15-8-5-7-14(17)11-15/h3-9,11,18H,2,10,12H2,1H3
InChIKeyYMPIICBPCAFOEQ-UHFFFAOYSA-N
MW259.32 g/mol
LogP4.12
Rot. Bonds6

About N-[[2-(3-fluorophenoxy)phenyl]methyl]propan-1-amine

N-[[2-(3-fluorophenoxy)phenyl]methyl]propan-1-amine (PubChem CID 43283339) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is N-[[2-(3-fluorophenoxy)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(3-fluorophenoxy)phenyl]methyl]propan-1-amine
PubChem CID43283339
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC NameN-[[2-(3-fluorophenoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1Oc1cccc(F)c1
InChIInChI=1S/C16H18FNO/c1-2-10-18-12-13-6-3-4-9-16(13)19-15-8-5-7-14(17)11-15/h3-9,11,18H,2,10,12H2,1H3
InChIKeyYMPIICBPCAFOEQ-UHFFFAOYSA-N
XLogP4.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[2-(3-fluorophenoxy)phenyl]methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-(3-ethylphenoxy)phenyl]methyl]propan-1-amine
CID 43282324
N-[[2-(2-ethylphenoxy)-5-fluorophenyl]methyl]propan-1-amine
CID 43314361
N-[[5-fluoro-2-(3-fluoro-4-methylphenoxy)phenyl]methyl]propan-1-amine
CID 107169870
N-[[2-(3-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 43283337
N-[[2-(4-bromo-3,5-dimethylphenoxy)phenyl]methyl]propan-1-amine
CID 107725294
N-[[2-(3,5-dimethylphenoxy)-5-fluorophenyl]methyl]propan-1-amine
CID 43314214
N-[[2-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]propan-1-amine
CID 43283843
N-[[2-(2,6-dimethylphenoxy)phenyl]methyl]propan-1-amine
CID 43282629
N-[[2-(4-bromo-2-fluorophenoxy)phenyl]methyl]propan-1-amine
CID 43283630
N-[1-[2-(3-fluorophenoxy)phenyl]ethyl]propan-1-amine
CID 43285606
N-[[2-(4-bromo-3-methylphenoxy)-5-fluorophenyl]methyl]propan-1-amine
CID 83136673
N-[[6-(3-fluorophenoxy)pyridazin-3-yl]methyl]propan-1-amine
CID 62323410

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-fluorophenoxy)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(3-fluorophenoxy)phenyl]methyl]propan-1-amine (CID 43283339) is N-[[2-(3-fluorophenoxy)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(3-fluorophenoxy)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(3-fluorophenoxy)phenyl]methyl]propan-1-amine is CCCNCc1ccccc1Oc1cccc(F)c1.
What is the InChIKey of N-[[2-(3-fluorophenoxy)phenyl]methyl]propan-1-amine?
The InChIKey is YMPIICBPCAFOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-2-10-18-12-13-6-3-4-9-16(13)19-15-8-5-7-14(17)11-15/h3-9,11,18H,2,10,12H2,1H3.
What are the key properties of N-[[2-(3-fluorophenoxy)phenyl]methyl]propan-1-amine?
N-[[2-(3-fluorophenoxy)phenyl]methyl]propan-1-amine has a molecular weight of 259.32 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-fluorophenoxy)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 43283339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).