N-(furan-2-ylmethyl)-N-(1H-imidazol-2-ylmethyl)-1-(3-methoxyphenyl)methanamine

C17H19N3O2 — CID 46962731

IUPACN-(furan-2-ylmethyl)-N-(1H-imidazol-2-ylmethyl)-1-(3-methoxyphenyl)methanamine
SMILESCOc1cccc(CN(Cc2ncc[nH]2)Cc2ccco2)c1
InChIInChI=1S/C17H19N3O2/c1-21-15-5-2-4-14(10-15)11-20(12-16-6-3-9-22-16)13-17-18-7-8-19-17/h2-10H,11-13H2,1H3,(H,18,19)
InChIKeyLUIHYLOYSITGPN-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.21
Rot. Bonds7

About N-(furan-2-ylmethyl)-N-(1H-imidazol-2-ylmethyl)-1-(3-methoxyphenyl)methanamine

N-(furan-2-ylmethyl)-N-(1H-imidazol-2-ylmethyl)-1-(3-methoxyphenyl)methanamine (PubChem CID 46962731) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-(1H-imidazol-2-ylmethyl)-1-(3-methoxyphenyl)methanamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-(1H-imidazol-2-ylmethyl)-1-(3-methoxyphenyl)methanamine
PubChem CID46962731
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-(furan-2-ylmethyl)-N-(1H-imidazol-2-ylmethyl)-1-(3-methoxyphenyl)methanamine
SMILESCOc1cccc(CN(Cc2ncc[nH]2)Cc2ccco2)c1
InChIInChI=1S/C17H19N3O2/c1-21-15-5-2-4-14(10-15)11-20(12-16-6-3-9-22-16)13-17-18-7-8-19-17/h2-10H,11-13H2,1H3,(H,18,19)
InChIKeyLUIHYLOYSITGPN-UHFFFAOYSA-N
XLogP3.21
TPSA54.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-(1H-imidazol-2-ylmethyl)-1-(3-methoxyphenyl)methanamine?
The IUPAC name of N-(furan-2-ylmethyl)-N-(1H-imidazol-2-ylmethyl)-1-(3-methoxyphenyl)methanamine (CID 46962731) is N-(furan-2-ylmethyl)-N-(1H-imidazol-2-ylmethyl)-1-(3-methoxyphenyl)methanamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-(1H-imidazol-2-ylmethyl)-1-(3-methoxyphenyl)methanamine?
The canonical SMILES for N-(furan-2-ylmethyl)-N-(1H-imidazol-2-ylmethyl)-1-(3-methoxyphenyl)methanamine is COc1cccc(CN(Cc2ncc[nH]2)Cc2ccco2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-(1H-imidazol-2-ylmethyl)-1-(3-methoxyphenyl)methanamine?
The InChIKey is LUIHYLOYSITGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-21-15-5-2-4-14(10-15)11-20(12-16-6-3-9-22-16)13-17-18-7-8-19-17/h2-10H,11-13H2,1H3,(H,18,19).
What are the key properties of N-(furan-2-ylmethyl)-N-(1H-imidazol-2-ylmethyl)-1-(3-methoxyphenyl)methanamine?
N-(furan-2-ylmethyl)-N-(1H-imidazol-2-ylmethyl)-1-(3-methoxyphenyl)methanamine has a molecular weight of 297.36 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-(1H-imidazol-2-ylmethyl)-1-(3-methoxyphenyl)methanamine is sourced from PubChem (CID 46962731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).