N-[(4-imidazol-1-ylphenyl)methyl]-1-(oxan-4-yl)ethanamine

C17H23N3O — CID 103769112

IUPACN-[(4-imidazol-1-ylphenyl)methyl]-1-(oxan-4-yl)ethanamine
SMILESCC(NCc1ccc(-n2ccnc2)cc1)C1CCOCC1
InChIInChI=1S/C17H23N3O/c1-14(16-6-10-21-11-7-16)19-12-15-2-4-17(5-3-15)20-9-8-18-13-20/h2-5,8-9,13-14,16,19H,6-7,10-12H2,1H3
InChIKeyKIADJIYHZPWCAY-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.78
Rot. Bonds5

About N-[(4-imidazol-1-ylphenyl)methyl]-1-(oxan-4-yl)ethanamine

N-[(4-imidazol-1-ylphenyl)methyl]-1-(oxan-4-yl)ethanamine (PubChem CID 103769112) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(4-imidazol-1-ylphenyl)methyl]-1-(oxan-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-imidazol-1-ylphenyl)methyl]-1-(oxan-4-yl)ethanamine
PubChem CID103769112
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[(4-imidazol-1-ylphenyl)methyl]-1-(oxan-4-yl)ethanamine
SMILESCC(NCc1ccc(-n2ccnc2)cc1)C1CCOCC1
InChIInChI=1S/C17H23N3O/c1-14(16-6-10-21-11-7-16)19-12-15-2-4-17(5-3-15)20-9-8-18-13-20/h2-5,8-9,13-14,16,19H,6-7,10-12H2,1H3
InChIKeyKIADJIYHZPWCAY-UHFFFAOYSA-N
XLogP2.78
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethylphenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103769025
N-[[4-(1,3-dioxolan-2-yl)phenyl]methyl]-1-(4-imidazol-1-ylphenyl)ethanamine
CID 75428099
N-[(4-imidazol-1-ylphenyl)methyl]-4-methylpentan-2-amine
CID 43775713
N-[(4-imidazol-1-ylphenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43222075
1-imidazol-1-yl-N-[(4-imidazol-1-ylphenyl)methyl]propan-2-amine
CID 43435620
N-[(4-imidazol-1-ylphenyl)methyl]hexan-2-amine
CID 62200953
N-[(4-imidazol-1-ylphenyl)methyl]-4-methylsulfanylbutan-2-amine
CID 115640008
1-(5-chlorothiophen-2-yl)-N-[(4-imidazol-1-ylphenyl)methyl]ethanamine
CID 43432658
4-[[1-(oxan-4-yl)ethylamino]methyl]benzamide
CID 103768922
N-[(2-methylpyrazol-3-yl)methyl]-1-(oxan-4-yl)ethanamine
CID 115699091
N-[(4-imidazol-1-ylphenyl)methyl]-3-methylbutan-1-amine
CID 43220439
(1S)-1-cyclopentyl-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine
CID 81386103

Frequently Asked Questions

What is the IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]-1-(oxan-4-yl)ethanamine?
The IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]-1-(oxan-4-yl)ethanamine (CID 103769112) is N-[(4-imidazol-1-ylphenyl)methyl]-1-(oxan-4-yl)ethanamine.
What is the SMILES notation for N-[(4-imidazol-1-ylphenyl)methyl]-1-(oxan-4-yl)ethanamine?
The canonical SMILES for N-[(4-imidazol-1-ylphenyl)methyl]-1-(oxan-4-yl)ethanamine is CC(NCc1ccc(-n2ccnc2)cc1)C1CCOCC1.
What is the InChIKey of N-[(4-imidazol-1-ylphenyl)methyl]-1-(oxan-4-yl)ethanamine?
The InChIKey is KIADJIYHZPWCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-14(16-6-10-21-11-7-16)19-12-15-2-4-17(5-3-15)20-9-8-18-13-20/h2-5,8-9,13-14,16,19H,6-7,10-12H2,1H3.
What are the key properties of N-[(4-imidazol-1-ylphenyl)methyl]-1-(oxan-4-yl)ethanamine?
N-[(4-imidazol-1-ylphenyl)methyl]-1-(oxan-4-yl)ethanamine has a molecular weight of 285.39 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-imidazol-1-ylphenyl)methyl]-1-(oxan-4-yl)ethanamine is sourced from PubChem (CID 103769112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).