N-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine

C14H19N3O — CID 66142118

IUPACN-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(OCc2cncn2C)cc1
InChIInChI=1S/C14H19N3O/c1-3-15-8-12-4-6-14(7-5-12)18-10-13-9-16-11-17(13)2/h4-7,9,11,15H,3,8,10H2,1-2H3
InChIKeyIQWAOCUBJQAEGE-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.11
Rot. Bonds6

About N-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine

N-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine (PubChem CID 66142118) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine
PubChem CID66142118
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(OCc2cncn2C)cc1
InChIInChI=1S/C14H19N3O/c1-3-15-8-12-4-6-14(7-5-12)18-10-13-9-16-11-17(13)2/h4-7,9,11,15H,3,8,10H2,1-2H3
InChIKeyIQWAOCUBJQAEGE-UHFFFAOYSA-N
XLogP2.11
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 66142318
N-[[4-[(3-ethylimidazol-4-yl)methoxy]phenyl]methyl]propan-1-amine
CID 66153745
N-methyl-1-[4-[(3-propylimidazol-4-yl)methoxy]phenyl]methanamine
CID 66154174
N-[[4-[(5-bromo-3-pyridinyl)methoxy]phenyl]methyl]ethanamine
CID 104796087
N-[[4-[(4-iodophenyl)methoxy]phenyl]methyl]ethanamine
CID 65499942
cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate
CID 59978551
N-[[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]ethanamine
CID 104796088
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17290745
N-[[3-bromo-4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 66141714
1-(3-ethoxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine
CID 63001902
N-[[1-[(3-methylimidazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 66142150
N-[[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 61495179

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine (CID 66142118) is N-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine is CCNCc1ccc(OCc2cncn2C)cc1.
What is the InChIKey of N-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine?
The InChIKey is IQWAOCUBJQAEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-15-8-12-4-6-14(7-5-12)18-10-13-9-16-11-17(13)2/h4-7,9,11,15H,3,8,10H2,1-2H3.
What are the key properties of N-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine?
N-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine has a molecular weight of 245.33 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 66142118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).