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

C15H20FN3 — CID 66146500

IUPACN-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cncn1Cc1ccccc1F
InChIInChI=1S/C15H20FN3/c1-15(2,3)18-9-13-8-17-11-19(13)10-12-6-4-5-7-14(12)16/h4-8,11,18H,9-10H2,1-3H3
InChIKeyIJWGAEOVPBDTKO-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.96
Rot. Bonds4

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

N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 66146500) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID66146500
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC NameN-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cncn1Cc1ccccc1F
InChIInChI=1S/C15H20FN3/c1-15(2,3)18-9-13-8-17-11-19(13)10-12-6-4-5-7-14(12)16/h4-8,11,18H,9-10H2,1-3H3
InChIKeyIJWGAEOVPBDTKO-UHFFFAOYSA-N
XLogP2.96
TPSA29.85 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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine (CID 66146500) is N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cncn1Cc1ccccc1F.
What is the InChIKey of N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is IJWGAEOVPBDTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-15(2,3)18-9-13-8-17-11-19(13)10-12-6-4-5-7-14(12)16/h4-8,11,18H,9-10H2,1-3H3.
What are the key properties of N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 261.34 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 66146500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).