2-methoxy-5-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline

C13H17N3O — CID 62747080

IUPAC2-methoxy-5-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline
SMILESCOc1ccc(C)cc1NCc1nc[nH]c1C
InChIInChI=1S/C13H17N3O/c1-9-4-5-13(17-3)11(6-9)14-7-12-10(2)15-8-16-12/h4-6,8,14H,7H2,1-3H3,(H,15,16)
InChIKeyQHCXHPMNNIJSOR-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.65
Rot. Bonds4

About 2-methoxy-5-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline

2-methoxy-5-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline (PubChem CID 62747080) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline
PubChem CID62747080
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-methoxy-5-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline
SMILESCOc1ccc(C)cc1NCc1nc[nH]c1C
InChIInChI=1S/C13H17N3O/c1-9-4-5-13(17-3)11(6-9)14-7-12-10(2)15-8-16-12/h4-6,8,14H,7H2,1-3H3,(H,15,16)
InChIKeyQHCXHPMNNIJSOR-UHFFFAOYSA-N
XLogP2.65
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methoxy-5-methylaniline
CID 79604739
N-[(2-fluoro-5-methylphenyl)methyl]-2-methoxy-5-methylaniline
CID 103818113
2-methoxy-5-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline
CID 39422604
N-(2-fluoroethyl)-2-methoxy-5-methylaniline
CID 80699786
N-(furan-2-ylmethyl)-2-methoxy-5-methylaniline
CID 23879682
N-[(2-ethylpyrazol-3-yl)methyl]-2-methoxy-5-methylaniline
CID 19619277
N-[(4-butoxyphenyl)methyl]-2-methoxy-5-methylaniline
CID 39422641
2-(2-methoxy-5-methylanilino)ethane-1,1-diol
CID 154118802
2-methoxy-5-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
CID 64771081
N-[(1-ethylpyrazol-3-yl)methyl]-2-methoxy-5-methylaniline
CID 19619216
2-methoxy-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylaniline
CID 110652671
2-chloro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-methylaniline
CID 107634838

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline?
The IUPAC name of 2-methoxy-5-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline (CID 62747080) is 2-methoxy-5-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline.
What is the SMILES notation for 2-methoxy-5-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline?
The canonical SMILES for 2-methoxy-5-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline is COc1ccc(C)cc1NCc1nc[nH]c1C.
What is the InChIKey of 2-methoxy-5-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline?
The InChIKey is QHCXHPMNNIJSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9-4-5-13(17-3)11(6-9)14-7-12-10(2)15-8-16-12/h4-6,8,14H,7H2,1-3H3,(H,15,16).
What are the key properties of 2-methoxy-5-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline?
2-methoxy-5-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline has a molecular weight of 231.30 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]aniline is sourced from PubChem (CID 62747080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).