1-(2,4-dimethylphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine

C15H21N3 — CID 62350126

IUPAC1-(2,4-dimethylphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
SMILESCc1ccc(C(C)NCc2nccn2C)c(C)c1
InChIInChI=1S/C15H21N3/c1-11-5-6-14(12(2)9-11)13(3)17-10-15-16-7-8-18(15)4/h5-9,13,17H,10H2,1-4H3
InChIKeyBZSPUHQVKYHEIJ-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.89
Rot. Bonds4

About 1-(2,4-dimethylphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine

1-(2,4-dimethylphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine (PubChem CID 62350126) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
PubChem CID62350126
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-(2,4-dimethylphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
SMILESCc1ccc(C(C)NCc2nccn2C)c(C)c1
InChIInChI=1S/C15H21N3/c1-11-5-6-14(12(2)9-11)13(3)17-10-15-16-7-8-18(15)4/h5-9,13,17H,10H2,1-4H3
InChIKeyBZSPUHQVKYHEIJ-UHFFFAOYSA-N
XLogP2.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-[(1-methylimidazol-2-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363525
1-(2,5-dimethylphenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 62956848
1-(2,4-dimethylphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 60945720
1-(2,4-dimethylphenyl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
CID 66399400
1-(2,4-dimethylphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 61285816
1-(2,4-dimethylphenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 18767185
1-(2,4-dimethylphenyl)-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 66410790
1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 63291941
(1S)-1-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 81347675
1-(2,4-dimethylphenyl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine
CID 62755447
1-(2,4-dimethylphenyl)-N-(2-imidazol-1-ylethyl)ethanamine
CID 61326541
1-(2,4-dimethylphenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
CID 115682383

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
The IUPAC name of 1-(2,4-dimethylphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine (CID 62350126) is 1-(2,4-dimethylphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine is Cc1ccc(C(C)NCc2nccn2C)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
The InChIKey is BZSPUHQVKYHEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-11-5-6-14(12(2)9-11)13(3)17-10-15-16-7-8-18(15)4/h5-9,13,17H,10H2,1-4H3.
What are the key properties of 1-(2,4-dimethylphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
1-(2,4-dimethylphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine has a molecular weight of 243.35 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 62350126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).