1-(4-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)-2-methylpropan-2-amine

C16H22FN3O — CID 18349625

IUPAC1-(4-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)-2-methylpropan-2-amine
SMILESCC(C)(COc1ccc(F)cc1)NCCCn1ccnc1
InChIInChI=1S/C16H22FN3O/c1-16(2,12-21-15-6-4-14(17)5-7-15)19-8-3-10-20-11-9-18-13-20/h4-7,9,11,13,19H,3,8,10,12H2,1-2H3
InChIKeyQSCWLBBUSBAWQD-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.86
Rot. Bonds8

About 1-(4-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)-2-methylpropan-2-amine

1-(4-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)-2-methylpropan-2-amine (PubChem CID 18349625) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is 1-(4-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)-2-methylpropan-2-amine
PubChem CID18349625
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC Name1-(4-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)-2-methylpropan-2-amine
SMILESCC(C)(COc1ccc(F)cc1)NCCCn1ccnc1
InChIInChI=1S/C16H22FN3O/c1-16(2,12-21-15-6-4-14(17)5-7-15)19-8-3-10-20-11-9-18-13-20/h4-7,9,11,13,19H,3,8,10,12H2,1-2H3
InChIKeyQSCWLBBUSBAWQD-UHFFFAOYSA-N
XLogP2.86
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(4-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)-2-methylpropan-2-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

1-[4-(4-fluorophenoxy)butyl]imidazole
CID 31196577
1-[5-(4-fluorophenoxy)pentyl]imidazole
CID 2851826
1-imidazol-1-yl-3-[[2-methyl-1-(4-methylsulfanylphenoxy)propan-2-yl]amino]propan-2-ol
CID 18349743
N-(3-imidazol-1-ylpropyl)-2-(4-phenylmethoxyphenyl)propan-2-amine;dihydrochloride
CID 18349638
5-fluoro-N-(3-imidazol-1-ylpropyl)pyridin-2-amine
CID 61313733
N-(3-imidazol-1-ylpropyl)-2-[4-(4-phenylmethoxyphenyl)phenyl]propan-2-amine
CID 18349622
(2R)-2-(4-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide
CID 38011679
N-[(4-fluorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 17155304
2-(4-fluorophenyl)-5-imidazol-1-ylpentan-2-ol
CID 22763069
1-(4-tert-butylphenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)-2-methylpropan-2-amine
CID 18349544
1-(3-imidazol-1-ylpropyl)-2-methyl-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111871302
4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53351812

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(4-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)-2-methylpropan-2-amine (CID 18349625) is 1-(4-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(4-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(4-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)-2-methylpropan-2-amine is CC(C)(COc1ccc(F)cc1)NCCCn1ccnc1.
What is the InChIKey of 1-(4-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)-2-methylpropan-2-amine?
The InChIKey is QSCWLBBUSBAWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c1-16(2,12-21-15-6-4-14(17)5-7-15)19-8-3-10-20-11-9-18-13-20/h4-7,9,11,13,19H,3,8,10,12H2,1-2H3.
What are the key properties of 1-(4-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)-2-methylpropan-2-amine?
1-(4-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)-2-methylpropan-2-amine has a molecular weight of 291.37 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)-2-methylpropan-2-amine is sourced from PubChem (CID 18349625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).