1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]-2-methylpropan-1-amine

C15H20FN3 — CID 102969585

IUPAC1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]-2-methylpropan-1-amine
SMILESCC(C)C(N)c1cncn1C(C)c1ccc(F)cc1
InChIInChI=1S/C15H20FN3/c1-10(2)15(17)14-8-18-9-19(14)11(3)12-4-6-13(16)7-5-12/h4-11,15H,17H2,1-3H3
InChIKeyJVHRESFGMRBMLE-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.29
Rot. Bonds4

About 1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]-2-methylpropan-1-amine

1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]-2-methylpropan-1-amine (PubChem CID 102969585) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]-2-methylpropan-1-amine
PubChem CID102969585
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]-2-methylpropan-1-amine
SMILESCC(C)C(N)c1cncn1C(C)c1ccc(F)cc1
InChIInChI=1S/C15H20FN3/c1-10(2)15(17)14-8-18-9-19(14)11(3)12-4-6-13(16)7-5-12/h4-11,15H,17H2,1-3H3
InChIKeyJVHRESFGMRBMLE-UHFFFAOYSA-N
XLogP3.29
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]-2-methylpropan-1-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

(1R)-1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]propan-1-amine
CID 104942473
1-[3-[1-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]-2-methylpropan-1-amine
CID 102969505
(1S)-1-(4-fluorophenyl)-2-methylpropan-1-amine
CID 7129632
2-amino-2-[3-[1-(4-bromophenyl)ethyl]imidazol-4-yl]ethanol
CID 114705010
2-methyl-1-[3-(1-phenylpropan-2-yl)imidazol-4-yl]propan-1-amine
CID 102969714
(1R)-1-(4-fluorophenyl)-2-methylpropan-1-amine;hydrochloride
CID 45072381
1-[3-(3,5-difluorophenyl)imidazol-4-yl]-2-methylpropan-1-amine
CID 102969456
1-[3-[(2,4-difluorophenyl)methyl]imidazol-4-yl]-2-methylpropan-1-amine
CID 102969676
2-methyl-1-(3-pent-4-yn-2-ylimidazol-4-yl)propan-1-amine
CID 102969862
methyl 2-[5-(1-amino-2-methylpropyl)imidazol-1-yl]propanoate
CID 102969607
1-[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]prop-2-en-1-one
CID 118230742
1-[3-(1-ethylsulfanylpropan-2-yl)imidazol-4-yl]-2-methylpropan-1-amine
CID 102969894

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]-2-methylpropan-1-amine?
The IUPAC name of 1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]-2-methylpropan-1-amine (CID 102969585) is 1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]-2-methylpropan-1-amine?
The canonical SMILES for 1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]-2-methylpropan-1-amine is CC(C)C(N)c1cncn1C(C)c1ccc(F)cc1.
What is the InChIKey of 1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]-2-methylpropan-1-amine?
The InChIKey is JVHRESFGMRBMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-10(2)15(17)14-8-18-9-19(14)11(3)12-4-6-13(16)7-5-12/h4-11,15H,17H2,1-3H3.
What are the key properties of 1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]-2-methylpropan-1-amine?
1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]-2-methylpropan-1-amine has a molecular weight of 261.34 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 102969585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).