N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine

C14H15F2N3O — CID 61004039

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine
SMILESFC(F)n1ccnc1CNCC1Cc2ccccc2O1
InChIInChI=1S/C14H15F2N3O/c15-14(16)19-6-5-18-13(19)9-17-8-11-7-10-3-1-2-4-12(10)20-11/h1-6,11,14,17H,7-9H2
InChIKeyGTMYVGDHRGJOFO-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.37
Rot. Bonds5

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine (PubChem CID 61004039) has the molecular formula C14H15F2N3O and a molecular weight of 279.29 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine
PubChem CID61004039
Molecular FormulaC14H15F2N3O
Molecular Weight279.29 g/mol
Exact Mass279.12
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine
SMILESFC(F)n1ccnc1CNCC1Cc2ccccc2O1
InChIInChI=1S/C14H15F2N3O/c15-14(16)19-6-5-18-13(19)9-17-8-11-7-10-3-1-2-4-12(10)20-11/h1-6,11,14,17H,7-9H2
InChIKeyGTMYVGDHRGJOFO-UHFFFAOYSA-N
XLogP2.37
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1-benzofuran-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 62998098
N-benzyl-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 19063201
3-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]cyclobutan-1-ol
CID 66006553
1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine
CID 63050382
1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 54895787
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-iodoethanamine
CID 114505487
1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 106371585
N-[(1-tert-butyltriazol-4-yl)methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 103398947
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(4-fluorophenyl)methanamine
CID 43111962
1-cyclohexyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)methanamine
CID 60752409
N-[(5-bromothiophen-2-yl)methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 54895688
1-(2,3-dihydro-1-benzofuran-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine
CID 62338719

Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine (CID 61004039) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine is FC(F)n1ccnc1CNCC1Cc2ccccc2O1.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine?
The InChIKey is GTMYVGDHRGJOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O/c15-14(16)19-6-5-18-13(19)9-17-8-11-7-10-3-1-2-4-12(10)20-11/h1-6,11,14,17H,7-9H2.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine has a molecular weight of 279.29 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 61004039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).