N-[[2-(3-fluoropropoxy)-3-methoxyphenyl]methyl]ethanamine

C13H20FNO2 — CID 81106283

IUPACN-[[2-(3-fluoropropoxy)-3-methoxyphenyl]methyl]ethanamine
SMILESCCNCc1cccc(OC)c1OCCCF
InChIInChI=1S/C13H20FNO2/c1-3-15-10-11-6-4-7-12(16-2)13(11)17-9-5-8-14/h4,6-7,15H,3,5,8-10H2,1-2H3
InChIKeyXHNLUXOHXUKTQC-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.54
Rot. Bonds8

About N-[[2-(3-fluoropropoxy)-3-methoxyphenyl]methyl]ethanamine

N-[[2-(3-fluoropropoxy)-3-methoxyphenyl]methyl]ethanamine (PubChem CID 81106283) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is N-[[2-(3-fluoropropoxy)-3-methoxyphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3-fluoropropoxy)-3-methoxyphenyl]methyl]ethanamine
PubChem CID81106283
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC NameN-[[2-(3-fluoropropoxy)-3-methoxyphenyl]methyl]ethanamine
SMILESCCNCc1cccc(OC)c1OCCCF
InChIInChI=1S/C13H20FNO2/c1-3-15-10-11-6-4-7-12(16-2)13(11)17-9-5-8-14/h4,6-7,15H,3,5,8-10H2,1-2H3
InChIKeyXHNLUXOHXUKTQC-UHFFFAOYSA-N
XLogP2.54
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[2-(3-fluoropropoxy)-3-methoxyphenyl]methyl]ethanamine 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

2-[2-(ethylaminomethyl)-6-methoxyphenoxy]ethanol
CID 43471970
N-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]ethanamine
CID 43471950
N-[[3-methoxy-2-(4-methylpentoxy)phenyl]methyl]ethanamine
CID 83152328
N-[[2-(3-fluoropropoxy)-3-methylphenyl]methyl]ethanamine
CID 112609046
1-[2-(ethylaminomethyl)-6-methoxyphenoxy]butan-2-ol
CID 60888804
N-[[3-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine
CID 106449862
N-[[3-methoxy-2-(pyridin-4-ylmethoxy)phenyl]methyl]ethanamine
CID 43427709
N-[(3-methoxy-2-octoxyphenyl)methyl]propan-1-amine
CID 54804925
N-[(2-hexoxy-3-methoxyphenyl)methyl]hexan-1-amine
CID 54805393
N-[[2-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]ethanamine
CID 43560143
N-[[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine
CID 43471952
3-[(2-heptoxy-3-methoxyphenyl)methylamino]propan-1-ol
CID 54849124

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-fluoropropoxy)-3-methoxyphenyl]methyl]ethanamine?
The IUPAC name of N-[[2-(3-fluoropropoxy)-3-methoxyphenyl]methyl]ethanamine (CID 81106283) is N-[[2-(3-fluoropropoxy)-3-methoxyphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3-fluoropropoxy)-3-methoxyphenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3-fluoropropoxy)-3-methoxyphenyl]methyl]ethanamine is CCNCc1cccc(OC)c1OCCCF.
What is the InChIKey of N-[[2-(3-fluoropropoxy)-3-methoxyphenyl]methyl]ethanamine?
The InChIKey is XHNLUXOHXUKTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-3-15-10-11-6-4-7-12(16-2)13(11)17-9-5-8-14/h4,6-7,15H,3,5,8-10H2,1-2H3.
What are the key properties of N-[[2-(3-fluoropropoxy)-3-methoxyphenyl]methyl]ethanamine?
N-[[2-(3-fluoropropoxy)-3-methoxyphenyl]methyl]ethanamine has a molecular weight of 241.31 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-fluoropropoxy)-3-methoxyphenyl]methyl]ethanamine is sourced from PubChem (CID 81106283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).