N-[[3-[(4-fluoro-2-methylphenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-1-amine

C17H24FN3 — CID 114349347

IUPACN-[[3-[(4-fluoro-2-methylphenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCc1cc(F)ccc1Cn1c(CNCC(C)C)cnc1C
InChIInChI=1S/C17H24FN3/c1-12(2)8-19-9-17-10-20-14(4)21(17)11-15-5-6-16(18)7-13(15)3/h5-7,10,12,19H,8-9,11H2,1-4H3
InChIKeyBKGFVNRLBBQDQF-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.43
Rot. Bonds6

About N-[[3-[(4-fluoro-2-methylphenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-1-amine

N-[[3-[(4-fluoro-2-methylphenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 114349347) has the molecular formula C17H24FN3 and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[[3-[(4-fluoro-2-methylphenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-[(4-fluoro-2-methylphenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID114349347
Molecular FormulaC17H24FN3
Molecular Weight289.40 g/mol
Exact Mass289.20
IUPAC NameN-[[3-[(4-fluoro-2-methylphenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCc1cc(F)ccc1Cn1c(CNCC(C)C)cnc1C
InChIInChI=1S/C17H24FN3/c1-12(2)8-19-9-17-10-20-14(4)21(17)11-15-5-6-16(18)7-13(15)3/h5-7,10,12,19H,8-9,11H2,1-4H3
InChIKeyBKGFVNRLBBQDQF-UHFFFAOYSA-N
XLogP3.43
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-[(4-fluoro-2-methylphenyl)methyl]-2-methylimidazol-4-yl]methyl]-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

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-fluoro-2-methylphenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-[(4-fluoro-2-methylphenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-1-amine (CID 114349347) is N-[[3-[(4-fluoro-2-methylphenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-[(4-fluoro-2-methylphenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-[(4-fluoro-2-methylphenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-1-amine is Cc1cc(F)ccc1Cn1c(CNCC(C)C)cnc1C.
What is the InChIKey of N-[[3-[(4-fluoro-2-methylphenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is BKGFVNRLBBQDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3/c1-12(2)8-19-9-17-10-20-14(4)21(17)11-15-5-6-16(18)7-13(15)3/h5-7,10,12,19H,8-9,11H2,1-4H3.
What are the key properties of N-[[3-[(4-fluoro-2-methylphenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-1-amine?
N-[[3-[(4-fluoro-2-methylphenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 289.40 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-fluoro-2-methylphenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 114349347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).