N-[[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-fluorophenyl]methyl]propan-1-amine

C15H19ClFN3O — CID 115953540

IUPACN-[[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-fluorophenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(F)c1OCc1ncc(Cl)n1C
InChIInChI=1S/C15H19ClFN3O/c1-3-7-18-8-11-5-4-6-12(17)15(11)21-10-14-19-9-13(16)20(14)2/h4-6,9,18H,3,7-8,10H2,1-2H3
InChIKeyIPTDCVUBTCZSQM-UHFFFAOYSA-N
MW311.79 g/mol
LogP3.29
Rot. Bonds7

About N-[[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-fluorophenyl]methyl]propan-1-amine

N-[[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-fluorophenyl]methyl]propan-1-amine (PubChem CID 115953540) has the molecular formula C15H19ClFN3O and a molecular weight of 311.79 g/mol. Its IUPAC name is N-[[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-fluorophenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-fluorophenyl]methyl]propan-1-amine
PubChem CID115953540
Molecular FormulaC15H19ClFN3O
Molecular Weight311.79 g/mol
Exact Mass311.12
IUPAC NameN-[[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-fluorophenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(F)c1OCc1ncc(Cl)n1C
InChIInChI=1S/C15H19ClFN3O/c1-3-7-18-8-11-5-4-6-12(17)15(11)21-10-14-19-9-13(16)20(14)2/h4-6,9,18H,3,7-8,10H2,1-2H3
InChIKeyIPTDCVUBTCZSQM-UHFFFAOYSA-N
XLogP3.29
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 53.29
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

N-[[3-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]methyl]propan-1-amine
CID 115953397
N-[(2-butoxy-3-fluorophenyl)methyl]propan-1-amine
CID 112609722
N-[[2-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-fluorophenyl]methyl]propan-1-amine
CID 115953447
N-[[3-fluoro-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]propan-1-amine
CID 112640473
N-[[2-[(E)-3-chloroprop-2-enoxy]-3-fluorophenyl]methyl]propan-1-amine
CID 112609714
N-[(5-chloro-1-methylimidazol-2-yl)methyl]butan-1-amine
CID 43088016
N-[[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methyl]propan-1-amine
CID 115953414
N-[(2-but-3-ynoxy-3-fluorophenyl)methyl]propan-1-amine
CID 112609711
N-[(2-but-3-enoxy-3-fluorophenyl)methyl]propan-1-amine
CID 112609732
N-[[5-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methyl]ethanamine
CID 60881637
N-[(3-fluoro-2-pentoxyphenyl)methyl]-2-methoxyethanamine
CID 112610863
N-[[3-fluoro-2-(3-methylsulfonylpropoxy)phenyl]methyl]propan-1-amine
CID 115953412

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-fluorophenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-fluorophenyl]methyl]propan-1-amine (CID 115953540) is N-[[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-fluorophenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-fluorophenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-fluorophenyl]methyl]propan-1-amine is CCCNCc1cccc(F)c1OCc1ncc(Cl)n1C.
What is the InChIKey of N-[[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-fluorophenyl]methyl]propan-1-amine?
The InChIKey is IPTDCVUBTCZSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFN3O/c1-3-7-18-8-11-5-4-6-12(17)15(11)21-10-14-19-9-13(16)20(14)2/h4-6,9,18H,3,7-8,10H2,1-2H3.
What are the key properties of N-[[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-fluorophenyl]methyl]propan-1-amine?
N-[[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-fluorophenyl]methyl]propan-1-amine has a molecular weight of 311.79 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-fluorophenyl]methyl]propan-1-amine is sourced from PubChem (CID 115953540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).