N-[[3-chloro-4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-methoxyethanamine

C15H20ClN3O2 — CID 63056352

IUPACN-[[3-chloro-4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(OCc2nccn2C)c(Cl)c1
InChIInChI=1S/C15H20ClN3O2/c1-19-7-5-18-15(19)11-21-14-4-3-12(9-13(14)16)10-17-6-8-20-2/h3-5,7,9,17H,6,8,10-11H2,1-2H3
InChIKeyBBWIYSOIIFGSNN-UHFFFAOYSA-N
MW309.80 g/mol
LogP2.39
Rot. Bonds8

About N-[[3-chloro-4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-methoxyethanamine

N-[[3-chloro-4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-methoxyethanamine (PubChem CID 63056352) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is N-[[3-chloro-4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[3-chloro-4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
PubChem CID63056352
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC NameN-[[3-chloro-4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(OCc2nccn2C)c(Cl)c1
InChIInChI=1S/C15H20ClN3O2/c1-19-7-5-18-15(19)11-21-14-4-3-12(9-13(14)16)10-17-6-8-20-2/h3-5,7,9,17H,6,8,10-11H2,1-2H3
InChIKeyBBWIYSOIIFGSNN-UHFFFAOYSA-N
XLogP2.39
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[[2-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]ethanamine
CID 63058179
N-[[3-chloro-4-(methoxymethoxy)phenyl]methyl]-2-methoxyethanamine
CID 65365160
N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 132843684
N-[[3-chloro-4-(2-propylimidazol-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 81145300
3-chloro-4-[(1-methylimidazol-2-yl)methoxy]aniline
CID 11459043
2-[2-[2-chloro-4-[(2-methoxyethylamino)methyl]phenoxy]ethoxy]ethanol
CID 63057204
N-[(3-chloro-4-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 81146312
[3-chloro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanol
CID 114528359
N-[[3-bromo-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 114527207
N-[(3-bromo-4-chlorophenyl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 83235355
N-[(3-chloro-4-pyrazol-1-ylphenyl)methyl]-2-methoxyethanamine
CID 81150264
3-[2-chloro-4-[(2-methoxyethylamino)methyl]phenoxy]-1,1,1-trifluoropropan-2-ol
CID 63899405

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[3-chloro-4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-methoxyethanamine (CID 63056352) is N-[[3-chloro-4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[3-chloro-4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[3-chloro-4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-methoxyethanamine is COCCNCc1ccc(OCc2nccn2C)c(Cl)c1.
What is the InChIKey of N-[[3-chloro-4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-methoxyethanamine?
The InChIKey is BBWIYSOIIFGSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-19-7-5-18-15(19)11-21-14-4-3-12(9-13(14)16)10-17-6-8-20-2/h3-5,7,9,17H,6,8,10-11H2,1-2H3.
What are the key properties of N-[[3-chloro-4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-methoxyethanamine?
N-[[3-chloro-4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-methoxyethanamine has a molecular weight of 309.80 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 63056352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).