1-[3-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]-N-methylmethanamine

C14H18FN3O — CID 112608841

IUPAC1-[3-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cccc(F)c1OCCCn1ccnc1
InChIInChI=1S/C14H18FN3O/c1-16-10-12-4-2-5-13(15)14(12)19-9-3-7-18-8-6-17-11-18/h2,4-6,8,11,16H,3,7,9-10H2,1H3
InChIKeyMYLHXBBKWGOLGZ-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.21
Rot. Bonds7

About 1-[3-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]-N-methylmethanamine

1-[3-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]-N-methylmethanamine (PubChem CID 112608841) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 1-[3-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]-N-methylmethanamine
PubChem CID112608841
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name1-[3-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cccc(F)c1OCCCn1ccnc1
InChIInChI=1S/C14H18FN3O/c1-16-10-12-4-2-5-13(15)14(12)19-9-3-7-18-8-6-17-11-18/h2,4-6,8,11,16H,3,7,9-10H2,1H3
InChIKeyMYLHXBBKWGOLGZ-UHFFFAOYSA-N
XLogP2.21
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.21
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

[3-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]methanamine
CID 112608034
N-[[3-fluoro-2-(2-imidazol-1-ylethoxy)phenyl]methyl]-2-methoxyethanamine
CID 115955450
N-[[3-chloro-2-(3-imidazol-1-ylpropoxy)phenyl]methyl]ethanamine
CID 115952959
1-[3-fluoro-2-(4-methoxybutoxy)phenyl]-N-methylmethanamine
CID 104647167
N-[[3-bromo-2-(3-imidazol-1-ylpropoxy)phenyl]methyl]propan-2-amine
CID 61494565
1-[3-[2,6-di(propan-2-yl)phenoxy]propyl]imidazole
CID 2852343
1-[3-fluoro-2-[(3-methylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 112608849
N,N-diethyl-2-[2-fluoro-6-(methylaminomethyl)phenoxy]ethanamine
CID 112608835
1-[3-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 115952490
[3-chloro-2-(3-imidazol-1-ylpropoxy)phenyl]methanol
CID 112612886
1-[3-fluoro-2-(2-propan-2-yloxyethoxy)phenyl]-N-methylmethanamine
CID 112608765
methyl 4-[2-fluoro-6-(methylaminomethyl)phenoxy]butanoate
CID 112608740

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]-N-methylmethanamine (CID 112608841) is 1-[3-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]-N-methylmethanamine is CNCc1cccc(F)c1OCCCn1ccnc1.
What is the InChIKey of 1-[3-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]-N-methylmethanamine?
The InChIKey is MYLHXBBKWGOLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-16-10-12-4-2-5-13(15)14(12)19-9-3-7-18-8-6-17-11-18/h2,4-6,8,11,16H,3,7,9-10H2,1H3.
What are the key properties of 1-[3-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]-N-methylmethanamine?
1-[3-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]-N-methylmethanamine has a molecular weight of 263.32 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 112608841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).