N-methyl-1-[1-[(3-methylphenyl)methyl]imidazol-4-yl]methanamine

C13H17N3 — CID 83886789

IUPACN-methyl-1-[1-[(3-methylphenyl)methyl]imidazol-4-yl]methanamine
SMILESCNCc1cn(Cc2cccc(C)c2)cn1
InChIInChI=1S/C13H17N3/c1-11-4-3-5-12(6-11)8-16-9-13(7-14-2)15-10-16/h3-6,9-10,14H,7-8H2,1-2H3
InChIKeyLELAGOZGIXPUEU-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.96
Rot. Bonds4

About N-methyl-1-[1-[(3-methylphenyl)methyl]imidazol-4-yl]methanamine

N-methyl-1-[1-[(3-methylphenyl)methyl]imidazol-4-yl]methanamine (PubChem CID 83886789) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-methyl-1-[1-[(3-methylphenyl)methyl]imidazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[(3-methylphenyl)methyl]imidazol-4-yl]methanamine
PubChem CID83886789
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN-methyl-1-[1-[(3-methylphenyl)methyl]imidazol-4-yl]methanamine
SMILESCNCc1cn(Cc2cccc(C)c2)cn1
InChIInChI=1S/C13H17N3/c1-11-4-3-5-12(6-11)8-16-9-13(7-14-2)15-10-16/h3-6,9-10,14H,7-8H2,1-2H3
InChIKeyLELAGOZGIXPUEU-UHFFFAOYSA-N
XLogP1.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-yl]methanamine
CID 106718523
2-[1-[(3-methylphenyl)methyl]imidazol-4-yl]ethanamine
CID 79983345
1-[1-[(3-methylphenyl)methyl]imidazol-4-yl]butan-2-amine
CID 106721438
1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]-N-methylmethanamine
CID 83894862
1-[1-[(3-bromo-4-methoxyphenyl)methyl]imidazol-4-yl]-N-methylmethanamine
CID 106718473
3-[[4-(propylaminomethyl)imidazol-1-yl]methyl]benzonitrile
CID 106719183
N-methyl-2-[1-[(4-methylphenyl)methyl]imidazol-4-yl]ethanamine
CID 79985488
1-[1-(cyclohexylmethyl)-5-[(3-methylphenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine
CID 56600351
2-methoxy-N-[[1-[(3-methoxyphenyl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106720570
N-[[1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106718891
(E)-3-(3-methylphenyl)-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]prop-2-enamide
CID 159880450
N-[[1-[(3,4-dimethylphenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine
CID 106719934

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(3-methylphenyl)methyl]imidazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[(3-methylphenyl)methyl]imidazol-4-yl]methanamine (CID 83886789) is N-methyl-1-[1-[(3-methylphenyl)methyl]imidazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[(3-methylphenyl)methyl]imidazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[(3-methylphenyl)methyl]imidazol-4-yl]methanamine is CNCc1cn(Cc2cccc(C)c2)cn1.
What is the InChIKey of N-methyl-1-[1-[(3-methylphenyl)methyl]imidazol-4-yl]methanamine?
The InChIKey is LELAGOZGIXPUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-11-4-3-5-12(6-11)8-16-9-13(7-14-2)15-10-16/h3-6,9-10,14H,7-8H2,1-2H3.
What are the key properties of N-methyl-1-[1-[(3-methylphenyl)methyl]imidazol-4-yl]methanamine?
N-methyl-1-[1-[(3-methylphenyl)methyl]imidazol-4-yl]methanamine has a molecular weight of 215.30 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[(3-methylphenyl)methyl]imidazol-4-yl]methanamine is sourced from PubChem (CID 83886789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).