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

C16H22FN3 — CID 65172235

IUPACN-[[3-[(4-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCc1ncc(CNCC(C)C)n1Cc1ccc(F)cc1
InChIInChI=1S/C16H22FN3/c1-12(2)8-18-9-16-10-19-13(3)20(16)11-14-4-6-15(17)7-5-14/h4-7,10,12,18H,8-9,11H2,1-3H3
InChIKeyIMACZKVISAXTRQ-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.12
Rot. Bonds6

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

N-[[3-[(4-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 65172235) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is N-[[3-[(4-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-[(4-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID65172235
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC NameN-[[3-[(4-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCc1ncc(CNCC(C)C)n1Cc1ccc(F)cc1
InChIInChI=1S/C16H22FN3/c1-12(2)8-18-9-16-10-19-13(3)20(16)11-14-4-6-15(17)7-5-14/h4-7,10,12,18H,8-9,11H2,1-3H3
InChIKeyIMACZKVISAXTRQ-UHFFFAOYSA-N
XLogP3.12
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-[(4-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-1-amine (CID 65172235) is N-[[3-[(4-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-[(4-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-[(4-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-1-amine is Cc1ncc(CNCC(C)C)n1Cc1ccc(F)cc1.
What is the InChIKey of N-[[3-[(4-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is IMACZKVISAXTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-12(2)8-18-9-16-10-19-13(3)20(16)11-14-4-6-15(17)7-5-14/h4-7,10,12,18H,8-9,11H2,1-3H3.
What are the key properties of N-[[3-[(4-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-1-amine?
N-[[3-[(4-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 275.37 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 65172235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).