N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(1H-imidazol-2-yl)-N-methylmethanamine

C16H20FN3O — CID 56758467

IUPACN-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(1H-imidazol-2-yl)-N-methylmethanamine
SMILESCN(Cc1ncc[nH]1)CC1(c2cccc(F)c2)CCOC1
InChIInChI=1S/C16H20FN3O/c1-20(10-15-18-6-7-19-15)11-16(5-8-21-12-16)13-3-2-4-14(17)9-13/h2-4,6-7,9H,5,8,10-12H2,1H3,(H,18,19)
InChIKeyQMZYWTRXNBHUGM-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.34
Rot. Bonds5

About N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(1H-imidazol-2-yl)-N-methylmethanamine

N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(1H-imidazol-2-yl)-N-methylmethanamine (PubChem CID 56758467) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(1H-imidazol-2-yl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(1H-imidazol-2-yl)-N-methylmethanamine
PubChem CID56758467
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC NameN-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(1H-imidazol-2-yl)-N-methylmethanamine
SMILESCN(Cc1ncc[nH]1)CC1(c2cccc(F)c2)CCOC1
InChIInChI=1S/C16H20FN3O/c1-20(10-15-18-6-7-19-15)11-16(5-8-21-12-16)13-3-2-4-14(17)9-13/h2-4,6-7,9H,5,8,10-12H2,1H3,(H,18,19)
InChIKeyQMZYWTRXNBHUGM-UHFFFAOYSA-N
XLogP2.34
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(1H-imidazol-2-yl)-N-methylmethanamine?
The IUPAC name of N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(1H-imidazol-2-yl)-N-methylmethanamine (CID 56758467) is N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(1H-imidazol-2-yl)-N-methylmethanamine.
What is the SMILES notation for N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(1H-imidazol-2-yl)-N-methylmethanamine?
The canonical SMILES for N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(1H-imidazol-2-yl)-N-methylmethanamine is CN(Cc1ncc[nH]1)CC1(c2cccc(F)c2)CCOC1.
What is the InChIKey of N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(1H-imidazol-2-yl)-N-methylmethanamine?
The InChIKey is QMZYWTRXNBHUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-20(10-15-18-6-7-19-15)11-16(5-8-21-12-16)13-3-2-4-14(17)9-13/h2-4,6-7,9H,5,8,10-12H2,1H3,(H,18,19).
What are the key properties of N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(1H-imidazol-2-yl)-N-methylmethanamine?
N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(1H-imidazol-2-yl)-N-methylmethanamine has a molecular weight of 289.35 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(1H-imidazol-2-yl)-N-methylmethanamine is sourced from PubChem (CID 56758467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).