N-[[2-[(1-ethylimidazol-2-yl)methoxy]phenyl]methyl]propan-1-amine

C16H23N3O — CID 62736402

IUPACN-[[2-[(1-ethylimidazol-2-yl)methoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1OCc1nccn1CC
InChIInChI=1S/C16H23N3O/c1-3-9-17-12-14-7-5-6-8-15(14)20-13-16-18-10-11-19(16)4-2/h5-8,10-11,17H,3-4,9,12-13H2,1-2H3
InChIKeyQSFZJCURKZCIGB-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.98
Rot. Bonds8

About N-[[2-[(1-ethylimidazol-2-yl)methoxy]phenyl]methyl]propan-1-amine

N-[[2-[(1-ethylimidazol-2-yl)methoxy]phenyl]methyl]propan-1-amine (PubChem CID 62736402) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[[2-[(1-ethylimidazol-2-yl)methoxy]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[(1-ethylimidazol-2-yl)methoxy]phenyl]methyl]propan-1-amine
PubChem CID62736402
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[[2-[(1-ethylimidazol-2-yl)methoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1OCc1nccn1CC
InChIInChI=1S/C16H23N3O/c1-3-9-17-12-14-7-5-6-8-15(14)20-13-16-18-10-11-19(16)4-2/h5-8,10-11,17H,3-4,9,12-13H2,1-2H3
InChIKeyQSFZJCURKZCIGB-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-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 46784352
2-methoxy-N-[[2-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]ethanamine
CID 63058179
N-[2-[(1-ethylimidazol-2-yl)methoxy]ethyl]propan-1-amine
CID 106937929
1-[2-[(1-ethylimidazol-2-yl)methoxy]-5-fluorophenyl]-N-methylmethanamine
CID 107695374
N-[[2-[(2-ethylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 63496111
N-[(2-ethoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 61214849
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 4716600
N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine
CID 79738438
N-[[2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]propan-1-amine
CID 107041124
3-[[2-(propylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 62888578
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 4716575
1-[2-[(1-ethylimidazol-2-yl)methoxy]phenyl]propan-1-ol
CID 55109330

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(1-ethylimidazol-2-yl)methoxy]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[(1-ethylimidazol-2-yl)methoxy]phenyl]methyl]propan-1-amine (CID 62736402) is N-[[2-[(1-ethylimidazol-2-yl)methoxy]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[(1-ethylimidazol-2-yl)methoxy]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[(1-ethylimidazol-2-yl)methoxy]phenyl]methyl]propan-1-amine is CCCNCc1ccccc1OCc1nccn1CC.
What is the InChIKey of N-[[2-[(1-ethylimidazol-2-yl)methoxy]phenyl]methyl]propan-1-amine?
The InChIKey is QSFZJCURKZCIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-9-17-12-14-7-5-6-8-15(14)20-13-16-18-10-11-19(16)4-2/h5-8,10-11,17H,3-4,9,12-13H2,1-2H3.
What are the key properties of N-[[2-[(1-ethylimidazol-2-yl)methoxy]phenyl]methyl]propan-1-amine?
N-[[2-[(1-ethylimidazol-2-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-[[2-[(1-ethylimidazol-2-yl)methoxy]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 62736402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).