N-[[3-[(2-chloro-6-methoxyphenyl)methyl]imidazol-4-yl]methyl]-2-methoxyethanamine

C15H20ClN3O2 — CID 103293568

IUPACN-[[3-[(2-chloro-6-methoxyphenyl)methyl]imidazol-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cncn1Cc1c(Cl)cccc1OC
InChIInChI=1S/C15H20ClN3O2/c1-20-7-6-17-8-12-9-18-11-19(12)10-13-14(16)4-3-5-15(13)21-2/h3-5,9,11,17H,6-8,10H2,1-2H3
InChIKeyXQBHSUFEJXZVPL-UHFFFAOYSA-N
MW309.80 g/mol
LogP2.33
Rot. Bonds8

About N-[[3-[(2-chloro-6-methoxyphenyl)methyl]imidazol-4-yl]methyl]-2-methoxyethanamine

N-[[3-[(2-chloro-6-methoxyphenyl)methyl]imidazol-4-yl]methyl]-2-methoxyethanamine (PubChem CID 103293568) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is N-[[3-[(2-chloro-6-methoxyphenyl)methyl]imidazol-4-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[3-[(2-chloro-6-methoxyphenyl)methyl]imidazol-4-yl]methyl]-2-methoxyethanamine
PubChem CID103293568
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC NameN-[[3-[(2-chloro-6-methoxyphenyl)methyl]imidazol-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cncn1Cc1c(Cl)cccc1OC
InChIInChI=1S/C15H20ClN3O2/c1-20-7-6-17-8-12-9-18-11-19(12)10-13-14(16)4-3-5-15(13)21-2/h3-5,9,11,17H,6-8,10H2,1-2H3
InChIKeyXQBHSUFEJXZVPL-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
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

N-[[3-[(4-fluorophenyl)methyl]imidazol-4-yl]methyl]-2-methoxyethanamine
CID 66146924
2-amino-2-[3-[(2-chloro-6-methoxyphenyl)methyl]imidazol-4-yl]ethanol
CID 103293720
2-methoxy-N-[[3-(2-propan-2-yloxyethyl)imidazol-4-yl]methyl]ethanamine
CID 113450980
2-methoxy-N-[[3-(2-piperidin-1-ylethyl)imidazol-4-yl]methyl]ethanamine
CID 66151760
N-[[2-chloro-6-(2-methoxyethoxy)phenyl]methyl]-2-methoxyethanamine
CID 114320091
N-[[2-chloro-6-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 115978986
N-[(2-chloro-6-propoxyphenyl)methyl]-2-methoxyethanamine
CID 114320190
N-[[3-(2-imidazol-1-ylethyl)imidazol-4-yl]methyl]-2-methoxyethanamine
CID 66148202
2-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-propan-2-ylacetamide
CID 66146107
2-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N,N-dimethylacetamide
CID 66146309
2-(2-methoxyphenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 106259901
N-[(2-bromo-6-methoxyphenyl)methyl]-2-methoxyethanamine
CID 171934444

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-chloro-6-methoxyphenyl)methyl]imidazol-4-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[3-[(2-chloro-6-methoxyphenyl)methyl]imidazol-4-yl]methyl]-2-methoxyethanamine (CID 103293568) is N-[[3-[(2-chloro-6-methoxyphenyl)methyl]imidazol-4-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[3-[(2-chloro-6-methoxyphenyl)methyl]imidazol-4-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[3-[(2-chloro-6-methoxyphenyl)methyl]imidazol-4-yl]methyl]-2-methoxyethanamine is COCCNCc1cncn1Cc1c(Cl)cccc1OC.
What is the InChIKey of N-[[3-[(2-chloro-6-methoxyphenyl)methyl]imidazol-4-yl]methyl]-2-methoxyethanamine?
The InChIKey is XQBHSUFEJXZVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-20-7-6-17-8-12-9-18-11-19(12)10-13-14(16)4-3-5-15(13)21-2/h3-5,9,11,17H,6-8,10H2,1-2H3.
What are the key properties of N-[[3-[(2-chloro-6-methoxyphenyl)methyl]imidazol-4-yl]methyl]-2-methoxyethanamine?
N-[[3-[(2-chloro-6-methoxyphenyl)methyl]imidazol-4-yl]methyl]-2-methoxyethanamine has a molecular weight of 309.80 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-chloro-6-methoxyphenyl)methyl]imidazol-4-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 103293568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).