1-(1H-imidazol-2-yl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]methanamine

C17H23N3O2 — CID 119111600

IUPAC1-(1H-imidazol-2-yl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]methanamine
SMILESCOc1ccc(C2(CNCc3ncc[nH]3)CCOCC2)cc1
InChIInChI=1S/C17H23N3O2/c1-21-15-4-2-14(3-5-15)17(6-10-22-11-7-17)13-18-12-16-19-8-9-20-16/h2-5,8-9,18H,6-7,10-13H2,1H3,(H,19,20)
InChIKeyGAESRLYRINWCIH-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.26
Rot. Bonds6

About 1-(1H-imidazol-2-yl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]methanamine

1-(1H-imidazol-2-yl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]methanamine (PubChem CID 119111600) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-(1H-imidazol-2-yl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(1H-imidazol-2-yl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]methanamine
PubChem CID119111600
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1-(1H-imidazol-2-yl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]methanamine
SMILESCOc1ccc(C2(CNCc3ncc[nH]3)CCOCC2)cc1
InChIInChI=1S/C17H23N3O2/c1-21-15-4-2-14(3-5-15)17(6-10-22-11-7-17)13-18-12-16-19-8-9-20-16/h2-5,8-9,18H,6-7,10-13H2,1H3,(H,19,20)
InChIKeyGAESRLYRINWCIH-UHFFFAOYSA-N
XLogP2.26
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-yl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]methanamine?
The IUPAC name of 1-(1H-imidazol-2-yl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]methanamine (CID 119111600) is 1-(1H-imidazol-2-yl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]methanamine.
What is the SMILES notation for 1-(1H-imidazol-2-yl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]methanamine?
The canonical SMILES for 1-(1H-imidazol-2-yl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]methanamine is COc1ccc(C2(CNCc3ncc[nH]3)CCOCC2)cc1.
What is the InChIKey of 1-(1H-imidazol-2-yl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]methanamine?
The InChIKey is GAESRLYRINWCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-21-15-4-2-14(3-5-15)17(6-10-22-11-7-17)13-18-12-16-19-8-9-20-16/h2-5,8-9,18H,6-7,10-13H2,1H3,(H,19,20).
What are the key properties of 1-(1H-imidazol-2-yl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]methanamine?
1-(1H-imidazol-2-yl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]methanamine has a molecular weight of 301.39 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-yl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]methanamine is sourced from PubChem (CID 119111600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).