N-[[2-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]methyl]ethanamine

C16H23N3O — CID 62440443

IUPACN-[[2-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1OCCn1cnc(C)c1C
InChIInChI=1S/C16H23N3O/c1-4-17-11-15-7-5-6-8-16(15)20-10-9-19-12-18-13(2)14(19)3/h5-8,12,17H,4,9-11H2,1-3H3
InChIKeyFJPARWKXBQHHFN-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.69
Rot. Bonds7

About N-[[2-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]methyl]ethanamine

N-[[2-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]methyl]ethanamine (PubChem CID 62440443) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[[2-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]methyl]ethanamine
PubChem CID62440443
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[[2-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1OCCn1cnc(C)c1C
InChIInChI=1S/C16H23N3O/c1-4-17-11-15-7-5-6-8-16(15)20-10-9-19-12-18-13(2)14(19)3/h5-8,12,17H,4,9-11H2,1-3H3
InChIKeyFJPARWKXBQHHFN-UHFFFAOYSA-N
XLogP2.69
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[2-(2-methylphenoxy)ethoxy]phenyl]methyl]ethanamine
CID 62453952
N-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]ethanamine
CID 62438685
N-[[2-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 62441973
N-[[2-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]phenyl]methyl]ethanamine
CID 79184613
N-[[2-[2-[(6-methyl-3-pyridinyl)oxy]ethoxy]phenyl]methyl]ethanamine
CID 62440305
2-[2-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]phenoxy]ethanol
CID 111457798
3-[2-(ethylaminomethyl)phenoxy]propanamide
CID 43277204
N-[(2-but-3-ynoxyphenyl)methyl]ethanamine
CID 60881032
N-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine
CID 113223004
N-[[2-(2-pyridin-4-ylethoxy)phenyl]methyl]ethanamine
CID 60892643
1-[2-[2-(benzimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 62446861
N-[[2-[(3-propylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine
CID 66154561

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]methyl]ethanamine (CID 62440443) is N-[[2-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]methyl]ethanamine is CCNCc1ccccc1OCCn1cnc(C)c1C.
What is the InChIKey of N-[[2-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]methyl]ethanamine?
The InChIKey is FJPARWKXBQHHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-17-11-15-7-5-6-8-16(15)20-10-9-19-12-18-13(2)14(19)3/h5-8,12,17H,4,9-11H2,1-3H3.
What are the key properties of N-[[2-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]methyl]ethanamine?
N-[[2-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]methyl]ethanamine has a molecular weight of 273.38 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 62440443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).