N-ethyl-1-[2-[(3-methylphenyl)methyl]-1H-imidazol-5-yl]ethanamine

C15H21N3 — CID 114265720

IUPACN-ethyl-1-[2-[(3-methylphenyl)methyl]-1H-imidazol-5-yl]ethanamine
SMILESCCNC(C)c1cnc(Cc2cccc(C)c2)[nH]1
InChIInChI=1S/C15H21N3/c1-4-16-12(3)14-10-17-15(18-14)9-13-7-5-6-11(2)8-13/h5-8,10,12,16H,4,9H2,1-3H3,(H,17,18)
InChIKeyWRXYTTBELOIPFL-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.98
Rot. Bonds5

About N-ethyl-1-[2-[(3-methylphenyl)methyl]-1H-imidazol-5-yl]ethanamine

N-ethyl-1-[2-[(3-methylphenyl)methyl]-1H-imidazol-5-yl]ethanamine (PubChem CID 114265720) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-ethyl-1-[2-[(3-methylphenyl)methyl]-1H-imidazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[2-[(3-methylphenyl)methyl]-1H-imidazol-5-yl]ethanamine
PubChem CID114265720
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-ethyl-1-[2-[(3-methylphenyl)methyl]-1H-imidazol-5-yl]ethanamine
SMILESCCNC(C)c1cnc(Cc2cccc(C)c2)[nH]1
InChIInChI=1S/C15H21N3/c1-4-16-12(3)14-10-17-15(18-14)9-13-7-5-6-11(2)8-13/h5-8,10,12,16H,4,9H2,1-3H3,(H,17,18)
InChIKeyWRXYTTBELOIPFL-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-[5-[(3-methylphenyl)methylsulfanyl]-2-pyridinyl]ethanamine
CID 83123426
N-ethyl-3,3-dimethyl-1-(3-methylphenyl)pentan-2-amine
CID 62679178
1-[2-[(3-bromophenyl)methyl]-4-methylpyrimidin-5-yl]-N-ethylethanamine
CID 62771903
N-[[2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]methyl]propan-2-amine
CID 55178056
1-[2-[(3,5-dimethylphenyl)methyl]-1,3-thiazol-5-yl]-N-ethylethanamine
CID 55102641
2-methyl-N-[[2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methyl]propan-1-amine
CID 62756426
N-ethyl-4,4-dimethyl-5-(3-methylphenyl)pentan-2-amine
CID 64717868
N-methyl-1-[2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methanamine
CID 62757123
2-[2-[(3-methylphenyl)methyl]-1,3-thiazol-5-yl]propan-1-ol
CID 115091382
N-ethyl-2-(3-methylphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 65152804
1-(4-ethylphenyl)-N-[2-(3-methylphenyl)ethyl]ethanamine
CID 63477985
2-methyl-N-[(3-methylphenyl)methyl]pentan-3-amine
CID 43768749

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-[(3-methylphenyl)methyl]-1H-imidazol-5-yl]ethanamine?
The IUPAC name of N-ethyl-1-[2-[(3-methylphenyl)methyl]-1H-imidazol-5-yl]ethanamine (CID 114265720) is N-ethyl-1-[2-[(3-methylphenyl)methyl]-1H-imidazol-5-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[2-[(3-methylphenyl)methyl]-1H-imidazol-5-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[2-[(3-methylphenyl)methyl]-1H-imidazol-5-yl]ethanamine is CCNC(C)c1cnc(Cc2cccc(C)c2)[nH]1.
What is the InChIKey of N-ethyl-1-[2-[(3-methylphenyl)methyl]-1H-imidazol-5-yl]ethanamine?
The InChIKey is WRXYTTBELOIPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-4-16-12(3)14-10-17-15(18-14)9-13-7-5-6-11(2)8-13/h5-8,10,12,16H,4,9H2,1-3H3,(H,17,18).
What are the key properties of N-ethyl-1-[2-[(3-methylphenyl)methyl]-1H-imidazol-5-yl]ethanamine?
N-ethyl-1-[2-[(3-methylphenyl)methyl]-1H-imidazol-5-yl]ethanamine has a molecular weight of 243.35 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-[(3-methylphenyl)methyl]-1H-imidazol-5-yl]ethanamine is sourced from PubChem (CID 114265720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).