N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-imidazol-1-ylpropan-1-amine

C20H22FN3O — CID 17155361

IUPACN-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-imidazol-1-ylpropan-1-amine
SMILESFc1ccc(COc2ccccc2CNCCCn2ccnc2)cc1
InChIInChI=1S/C20H22FN3O/c21-19-8-6-17(7-9-19)15-25-20-5-2-1-4-18(20)14-22-10-3-12-24-13-11-23-16-24/h1-2,4-9,11,13,16,22H,3,10,12,14-15H2
InChIKeyOCGYEHOUZOAICS-UHFFFAOYSA-N
MW339.41 g/mol
LogP3.78
Rot. Bonds9

About N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-imidazol-1-ylpropan-1-amine

N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-imidazol-1-ylpropan-1-amine (PubChem CID 17155361) has the molecular formula C20H22FN3O and a molecular weight of 339.41 g/mol. Its IUPAC name is N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-imidazol-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-imidazol-1-ylpropan-1-amine
PubChem CID17155361
Molecular FormulaC20H22FN3O
Molecular Weight339.41 g/mol
Exact Mass339.17
IUPAC NameN-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-imidazol-1-ylpropan-1-amine
SMILESFc1ccc(COc2ccccc2CNCCCn2ccnc2)cc1
InChIInChI=1S/C20H22FN3O/c21-19-8-6-17(7-9-19)15-25-20-5-2-1-4-18(20)14-22-10-3-12-24-13-11-23-16-24/h1-2,4-9,11,13,16,22H,3,10,12,14-15H2
InChIKeyOCGYEHOUZOAICS-UHFFFAOYSA-N
XLogP3.78
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 53.78
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-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-imidazol-1-ylpropan-1-amine
CID 17155459
N-[(4-fluorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 17155304
4-imidazol-1-yl-N-[(2-prop-2-ynoxyphenyl)methyl]butan-1-amine
CID 61070537
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]butan-1-amine
CID 4722043
N-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 17156531
N-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-imidazol-1-ylpropan-1-amine
CID 17155421
N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 17155358
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-3-imidazol-1-ylpropan-1-amine
CID 17155455
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 17289404
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 4716600
1-[(2-phenylmethoxyphenyl)methyl]imidazole
CID 12903383
1-[4-(2-phenylmethoxyphenoxy)butyl]imidazole
CID 2995500

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-imidazol-1-ylpropan-1-amine?
The IUPAC name of N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-imidazol-1-ylpropan-1-amine (CID 17155361) is N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-imidazol-1-ylpropan-1-amine.
What is the SMILES notation for N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-imidazol-1-ylpropan-1-amine?
The canonical SMILES for N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-imidazol-1-ylpropan-1-amine is Fc1ccc(COc2ccccc2CNCCCn2ccnc2)cc1.
What is the InChIKey of N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-imidazol-1-ylpropan-1-amine?
The InChIKey is OCGYEHOUZOAICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O/c21-19-8-6-17(7-9-19)15-25-20-5-2-1-4-18(20)14-22-10-3-12-24-13-11-23-16-24/h1-2,4-9,11,13,16,22H,3,10,12,14-15H2.
What are the key properties of N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-imidazol-1-ylpropan-1-amine?
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-imidazol-1-ylpropan-1-amine has a molecular weight of 339.41 g/mol, XLogP of 3.78, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-imidazol-1-ylpropan-1-amine is sourced from PubChem (CID 17155361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).