N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-(2-methylphenyl)ethanamine

C15H21N3 — CID 28956274

IUPACN-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-(2-methylphenyl)ethanamine
SMILESCc1cnc(CN(C)CCc2ccccc2C)[nH]1
InChIInChI=1S/C15H21N3/c1-12-6-4-5-7-14(12)8-9-18(3)11-15-16-10-13(2)17-15/h4-7,10H,8-9,11H2,1-3H3,(H,16,17)
InChIKeySHECMVAQZVLBRO-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.70
Rot. Bonds5

About N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-(2-methylphenyl)ethanamine

N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-(2-methylphenyl)ethanamine (PubChem CID 28956274) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-(2-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-(2-methylphenyl)ethanamine
PubChem CID28956274
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-(2-methylphenyl)ethanamine
SMILESCc1cnc(CN(C)CCc2ccccc2C)[nH]1
InChIInChI=1S/C15H21N3/c1-12-6-4-5-7-14(12)8-9-18(3)11-15-16-10-13(2)17-15/h4-7,10H,8-9,11H2,1-3H3,(H,16,17)
InChIKeySHECMVAQZVLBRO-UHFFFAOYSA-N
XLogP2.70
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-2-methylphenyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine
CID 77080785
N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 28641728
N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methanamine
CID 42196661
2-[3-(2,3-dimethylphenyl)propyl]-5-methyl-1H-imidazole
CID 70557696
2-(2-chloro-6-fluorophenyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]ethanamine;bis(2,2,2-trifluoroacetic acid)
CID 154885257
6-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]pyridine-2-carboxylic acid
CID 74233804
2-[2-[methyl-[(2-methylphenyl)methyl]amino]ethyl]benzoic acid
CID 104548755
3-methyl-2-[[methyl-[2-(2-methylphenyl)ethyl]amino]methyl]butan-1-ol
CID 115252258
4-[methyl-[2-(2-methylphenyl)ethyl]amino]butanenitrile
CID 115232074
N'-methyl-N'-[2-(2-methylphenyl)ethyl]-N-propan-2-ylethane-1,2-diamine
CID 113409141
2-[(2-bromophenyl)methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]acetic acid
CID 166268190
N'-methyl-N'-[2-(2-methylphenyl)ethyl]-N-(2-methylpropyl)ethane-1,2-diamine
CID 113409285

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-(2-methylphenyl)ethanamine?
The IUPAC name of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-(2-methylphenyl)ethanamine (CID 28956274) is N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-(2-methylphenyl)ethanamine.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-(2-methylphenyl)ethanamine?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-(2-methylphenyl)ethanamine is Cc1cnc(CN(C)CCc2ccccc2C)[nH]1.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-(2-methylphenyl)ethanamine?
The InChIKey is SHECMVAQZVLBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-12-6-4-5-7-14(12)8-9-18(3)11-15-16-10-13(2)17-15/h4-7,10H,8-9,11H2,1-3H3,(H,16,17).
What are the key properties of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-(2-methylphenyl)ethanamine?
N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-(2-methylphenyl)ethanamine has a molecular weight of 243.35 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-(2-methylphenyl)ethanamine is sourced from PubChem (CID 28956274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).