1-[5-(4-fluorophenyl)furan-2-yl]-N-[(1-methylimidazol-2-yl)methyl]methanamine

C16H16FN3O — CID 63001539

IUPAC1-[5-(4-fluorophenyl)furan-2-yl]-N-[(1-methylimidazol-2-yl)methyl]methanamine
SMILESCn1ccnc1CNCc1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C16H16FN3O/c1-20-9-8-19-16(20)11-18-10-14-6-7-15(21-14)12-2-4-13(17)5-3-12/h2-9,18H,10-11H2,1H3
InChIKeyYNTQACRRJPYWEY-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.11
Rot. Bonds5

About 1-[5-(4-fluorophenyl)furan-2-yl]-N-[(1-methylimidazol-2-yl)methyl]methanamine

1-[5-(4-fluorophenyl)furan-2-yl]-N-[(1-methylimidazol-2-yl)methyl]methanamine (PubChem CID 63001539) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 1-[5-(4-fluorophenyl)furan-2-yl]-N-[(1-methylimidazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[5-(4-fluorophenyl)furan-2-yl]-N-[(1-methylimidazol-2-yl)methyl]methanamine
PubChem CID63001539
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name1-[5-(4-fluorophenyl)furan-2-yl]-N-[(1-methylimidazol-2-yl)methyl]methanamine
SMILESCn1ccnc1CNCc1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C16H16FN3O/c1-20-9-8-19-16(20)11-18-10-14-6-7-15(21-14)12-2-4-13(17)5-3-12/h2-9,18H,10-11H2,1H3
InChIKeyYNTQACRRJPYWEY-UHFFFAOYSA-N
XLogP3.11
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylimidazol-2-yl)methyl]-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methanamine
CID 75519213
1-[5-(4-fluorophenyl)furan-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 61034800
methyl 5-[[(1-methylimidazol-2-yl)methylamino]methyl]furan-2-carboxylate
CID 55170799
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methylsulfanylethanamine
CID 60663627
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(4-fluorophenyl)methanamine
CID 4723780
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]heptan-1-amine
CID 4723512
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-methylbut-2-en-1-amine
CID 106180699
N-[(5-methylfuran-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 61214870
N-[(5-ethylfuran-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 62346002
(E)-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pent-3-en-1-amine
CID 115629192
(1S)-1-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 81347675
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride
CID 17331982

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluorophenyl)furan-2-yl]-N-[(1-methylimidazol-2-yl)methyl]methanamine?
The IUPAC name of 1-[5-(4-fluorophenyl)furan-2-yl]-N-[(1-methylimidazol-2-yl)methyl]methanamine (CID 63001539) is 1-[5-(4-fluorophenyl)furan-2-yl]-N-[(1-methylimidazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-[5-(4-fluorophenyl)furan-2-yl]-N-[(1-methylimidazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-[5-(4-fluorophenyl)furan-2-yl]-N-[(1-methylimidazol-2-yl)methyl]methanamine is Cn1ccnc1CNCc1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of 1-[5-(4-fluorophenyl)furan-2-yl]-N-[(1-methylimidazol-2-yl)methyl]methanamine?
The InChIKey is YNTQACRRJPYWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-20-9-8-19-16(20)11-18-10-14-6-7-15(21-14)12-2-4-13(17)5-3-12/h2-9,18H,10-11H2,1H3.
What are the key properties of 1-[5-(4-fluorophenyl)furan-2-yl]-N-[(1-methylimidazol-2-yl)methyl]methanamine?
1-[5-(4-fluorophenyl)furan-2-yl]-N-[(1-methylimidazol-2-yl)methyl]methanamine has a molecular weight of 285.32 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluorophenyl)furan-2-yl]-N-[(1-methylimidazol-2-yl)methyl]methanamine is sourced from PubChem (CID 63001539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).