2-(1H-imidazol-5-yl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine

C15H21N3 — CID 64988409

IUPAC2-(1H-imidazol-5-yl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
SMILESCc1cc(C)c(CNCCc2cnc[nH]2)c(C)c1
InChIInChI=1S/C15H21N3/c1-11-6-12(2)15(13(3)7-11)9-16-5-4-14-8-17-10-18-14/h6-8,10,16H,4-5,9H2,1-3H3,(H,17,18)
InChIKeySEZODLMVLQBGNN-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.67
Rot. Bonds5

About 2-(1H-imidazol-5-yl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine

2-(1H-imidazol-5-yl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine (PubChem CID 64988409) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
PubChem CID64988409
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-(1H-imidazol-5-yl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
SMILESCc1cc(C)c(CNCCc2cnc[nH]2)c(C)c1
InChIInChI=1S/C15H21N3/c1-11-6-12(2)15(13(3)7-11)9-16-5-4-14-8-17-10-18-14/h6-8,10,16H,4-5,9H2,1-3H3,(H,17,18)
InChIKeySEZODLMVLQBGNN-UHFFFAOYSA-N
XLogP2.67
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1H-imidazol-5-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine
CID 65230472
N'-[2-(1H-imidazol-5-yl)ethyl]-N-methylethane-1,2-diamine
CID 102056012
1-(2,4-dimethylphenyl)-3-[2-(1H-imidazol-5-yl)ethyl]thiourea;hydrochloride
CID 163329394
N-(1H-imidazol-5-ylmethyl)-2-(3-methylphenyl)ethanamine
CID 62761782
2-(1H-imidazol-5-yl)-N-(thiophen-3-ylmethyl)ethanamine
CID 64988759
N-(fluoromethyl)-2-(1H-imidazol-5-yl)ethanamine;hydrochloride
CID 70625954
N-[(2-chloro-6-methoxyphenyl)methyl]-2-(1H-imidazol-5-yl)ethanamine
CID 115645178
5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-3-methylpyridin-2-amine
CID 79718614
2-(1H-imidazol-5-yl)-N-(naphthalen-2-ylmethyl)ethanamine
CID 65230734
N-[(4,5-dibromofuran-2-yl)methyl]-2-(1H-imidazol-5-yl)ethanamine
CID 65232025
N-[(2,5-difluorophenyl)methyl]-2-(1H-imidazol-5-yl)ethanamine
CID 65230885
2-[(2,4,6-trimethylphenyl)methylamino]ethanethiol
CID 115223927

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-yl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine?
The IUPAC name of 2-(1H-imidazol-5-yl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine (CID 64988409) is 2-(1H-imidazol-5-yl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(1H-imidazol-5-yl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine?
The canonical SMILES for 2-(1H-imidazol-5-yl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine is Cc1cc(C)c(CNCCc2cnc[nH]2)c(C)c1.
What is the InChIKey of 2-(1H-imidazol-5-yl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine?
The InChIKey is SEZODLMVLQBGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-11-6-12(2)15(13(3)7-11)9-16-5-4-14-8-17-10-18-14/h6-8,10,16H,4-5,9H2,1-3H3,(H,17,18).
What are the key properties of 2-(1H-imidazol-5-yl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine?
2-(1H-imidazol-5-yl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine has a molecular weight of 243.35 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 64988409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).