N-[[4-[(3-ethylimidazol-4-yl)methoxy]phenyl]methyl]propan-1-amine

C16H23N3O — CID 66153745

IUPACN-[[4-[(3-ethylimidazol-4-yl)methoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OCc2cncn2CC)cc1
InChIInChI=1S/C16H23N3O/c1-3-9-17-10-14-5-7-16(8-6-14)20-12-15-11-18-13-19(15)4-2/h5-8,11,13,17H,3-4,9-10,12H2,1-2H3
InChIKeyRSYLBZYXIVBAKP-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.98
Rot. Bonds8

About N-[[4-[(3-ethylimidazol-4-yl)methoxy]phenyl]methyl]propan-1-amine

N-[[4-[(3-ethylimidazol-4-yl)methoxy]phenyl]methyl]propan-1-amine (PubChem CID 66153745) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[[4-[(3-ethylimidazol-4-yl)methoxy]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-[(3-ethylimidazol-4-yl)methoxy]phenyl]methyl]propan-1-amine
PubChem CID66153745
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[[4-[(3-ethylimidazol-4-yl)methoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OCc2cncn2CC)cc1
InChIInChI=1S/C16H23N3O/c1-3-9-17-10-14-5-7-16(8-6-14)20-12-15-11-18-13-19(15)4-2/h5-8,11,13,17H,3-4,9-10,12H2,1-2H3
InChIKeyRSYLBZYXIVBAKP-UHFFFAOYSA-N
XLogP2.98
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-[4-[(3-propylimidazol-4-yl)methoxy]phenyl]methanamine
CID 66154174
1-[4-[(3-ethylimidazol-4-yl)methoxy]phenyl]propan-2-one
CID 113323069
N-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine
CID 66142118
N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]propan-1-amine
CID 23397058
N-[[5-[(3-ethylimidazol-4-yl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 79788513
N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methylphenyl)methanamine
CID 66116948
N-[[4-[(4-methylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 62450171
N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]propan-1-amine
CID 62453982
N-[[4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]propan-1-amine
CID 63020291
N-[[5-[(3-propan-2-ylimidazol-4-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 79781690
N-[(3-ethylimidazol-4-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 66134874
5-[(4-bromo-3-fluorophenoxy)methyl]-1-ethylimidazole
CID 66153948

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-ethylimidazol-4-yl)methoxy]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-[(3-ethylimidazol-4-yl)methoxy]phenyl]methyl]propan-1-amine (CID 66153745) is N-[[4-[(3-ethylimidazol-4-yl)methoxy]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-[(3-ethylimidazol-4-yl)methoxy]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-[(3-ethylimidazol-4-yl)methoxy]phenyl]methyl]propan-1-amine is CCCNCc1ccc(OCc2cncn2CC)cc1.
What is the InChIKey of N-[[4-[(3-ethylimidazol-4-yl)methoxy]phenyl]methyl]propan-1-amine?
The InChIKey is RSYLBZYXIVBAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-9-17-10-14-5-7-16(8-6-14)20-12-15-11-18-13-19(15)4-2/h5-8,11,13,17H,3-4,9-10,12H2,1-2H3.
What are the key properties of N-[[4-[(3-ethylimidazol-4-yl)methoxy]phenyl]methyl]propan-1-amine?
N-[[4-[(3-ethylimidazol-4-yl)methoxy]phenyl]methyl]propan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-ethylimidazol-4-yl)methoxy]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 66153745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).