2-methoxy-N-[[2-methyl-3-[(2-methylphenyl)methyl]imidazol-4-yl]methyl]ethanamine

C16H23N3O — CID 65172394

IUPAC2-methoxy-N-[[2-methyl-3-[(2-methylphenyl)methyl]imidazol-4-yl]methyl]ethanamine
SMILESCOCCNCc1cnc(C)n1Cc1ccccc1C
InChIInChI=1S/C16H23N3O/c1-13-6-4-5-7-15(13)12-19-14(2)18-11-16(19)10-17-8-9-20-3/h4-7,11,17H,8-10,12H2,1-3H3
InChIKeyTZVVXAIGGOUTPU-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.28
Rot. Bonds7

About 2-methoxy-N-[[2-methyl-3-[(2-methylphenyl)methyl]imidazol-4-yl]methyl]ethanamine

2-methoxy-N-[[2-methyl-3-[(2-methylphenyl)methyl]imidazol-4-yl]methyl]ethanamine (PubChem CID 65172394) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-methoxy-N-[[2-methyl-3-[(2-methylphenyl)methyl]imidazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[2-methyl-3-[(2-methylphenyl)methyl]imidazol-4-yl]methyl]ethanamine
PubChem CID65172394
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-methoxy-N-[[2-methyl-3-[(2-methylphenyl)methyl]imidazol-4-yl]methyl]ethanamine
SMILESCOCCNCc1cnc(C)n1Cc1ccccc1C
InChIInChI=1S/C16H23N3O/c1-13-6-4-5-7-15(13)12-19-14(2)18-11-16(19)10-17-8-9-20-3/h4-7,11,17H,8-10,12H2,1-3H3
InChIKeyTZVVXAIGGOUTPU-UHFFFAOYSA-N
XLogP2.28
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.28
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-[(3-butyl-2-methylimidazol-4-yl)methyl]-2-methoxyethanamine
CID 65172293
2-methoxy-N-[(2-methyl-3-prop-2-enylimidazol-4-yl)methyl]ethanamine
CID 65172189
N-[[3-[(4-chloro-3-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methoxyethanamine
CID 107888058
2-methoxy-N-[[2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methyl]ethanamine
CID 103015799
2-methoxy-N-[[5-[(2-methylphenyl)methoxy]-2-pyridinyl]methyl]ethanamine
CID 79789244
1-[3-[(2-fluorophenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine
CID 65173130
2-methoxy-N-[[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine
CID 66440069
N-methyl-1-[2-methyl-3-(naphthalen-1-ylmethyl)imidazol-4-yl]methanamine
CID 65172711
N-[[3-[(2-bromophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 65171768
2-methoxy-N-[[2-[(2-methylphenyl)methylsulfanyl]phenyl]methyl]ethanamine
CID 63809190
N-[(2-methylphenyl)methyl]-2-propan-2-yloxyethanamine
CID 60695109
N-[[3-[(4-fluoro-2-methylphenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 114349347

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[2-methyl-3-[(2-methylphenyl)methyl]imidazol-4-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[2-methyl-3-[(2-methylphenyl)methyl]imidazol-4-yl]methyl]ethanamine (CID 65172394) is 2-methoxy-N-[[2-methyl-3-[(2-methylphenyl)methyl]imidazol-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[2-methyl-3-[(2-methylphenyl)methyl]imidazol-4-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[2-methyl-3-[(2-methylphenyl)methyl]imidazol-4-yl]methyl]ethanamine is COCCNCc1cnc(C)n1Cc1ccccc1C.
What is the InChIKey of 2-methoxy-N-[[2-methyl-3-[(2-methylphenyl)methyl]imidazol-4-yl]methyl]ethanamine?
The InChIKey is TZVVXAIGGOUTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-13-6-4-5-7-15(13)12-19-14(2)18-11-16(19)10-17-8-9-20-3/h4-7,11,17H,8-10,12H2,1-3H3.
What are the key properties of 2-methoxy-N-[[2-methyl-3-[(2-methylphenyl)methyl]imidazol-4-yl]methyl]ethanamine?
2-methoxy-N-[[2-methyl-3-[(2-methylphenyl)methyl]imidazol-4-yl]methyl]ethanamine has a molecular weight of 273.38 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[2-methyl-3-[(2-methylphenyl)methyl]imidazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 65172394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).