N-[(3-ethylphenyl)-(1-methylimidazol-4-yl)methyl]ethanamine

C15H21N3 — CID 107976676

IUPACN-[(3-ethylphenyl)-(1-methylimidazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cccc(CC)c1)c1cn(C)cn1
InChIInChI=1S/C15H21N3/c1-4-12-7-6-8-13(9-12)15(16-5-2)14-10-18(3)11-17-14/h6-11,15-16H,4-5H2,1-3H3
InChIKeyPXVJVYKEOSNLPT-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.68
Rot. Bonds5

About N-[(3-ethylphenyl)-(1-methylimidazol-4-yl)methyl]ethanamine

N-[(3-ethylphenyl)-(1-methylimidazol-4-yl)methyl]ethanamine (PubChem CID 107976676) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[(3-ethylphenyl)-(1-methylimidazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-ethylphenyl)-(1-methylimidazol-4-yl)methyl]ethanamine
PubChem CID107976676
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-[(3-ethylphenyl)-(1-methylimidazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cccc(CC)c1)c1cn(C)cn1
InChIInChI=1S/C15H21N3/c1-4-12-7-6-8-13(9-12)15(16-5-2)14-10-18(3)11-17-14/h6-11,15-16H,4-5H2,1-3H3
InChIKeyPXVJVYKEOSNLPT-UHFFFAOYSA-N
XLogP2.68
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethyl-1-methylpyrazol-4-yl)-(3-ethylphenyl)methyl]ethanamine
CID 102812685
N-[(4-chlorophenyl)-(1-methylimidazol-4-yl)methyl]ethanamine
CID 107973322
N-[[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylimidazol-4-yl)methyl]ethanamine
CID 107978064
N-[[4-fluoro-3-(trifluoromethyl)phenyl]-(1-methylimidazol-4-yl)methyl]ethanamine
CID 107978068
N-[(1-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 107974876
N-[(1-methylimidazol-4-yl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 107975197
N-[(2,6-dichlorophenyl)-(3-ethylphenyl)methyl]ethanamine
CID 105018508
N-[(4-ethoxyphenyl)-(3-ethylphenyl)methyl]ethanamine
CID 105018505
N-[(3-ethylphenyl)-(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 114031688
N-[(2-chloro-5-fluorophenyl)-(1-methylimidazol-4-yl)methyl]ethanamine
CID 107977844
N-[(1-methylimidazol-2-yl)-(1-methylimidazol-4-yl)methyl]ethanamine
CID 107975384
N-[(4,5-dibromothiophen-2-yl)-(3-ethylphenyl)methyl]ethanamine
CID 105018887

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylphenyl)-(1-methylimidazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(3-ethylphenyl)-(1-methylimidazol-4-yl)methyl]ethanamine (CID 107976676) is N-[(3-ethylphenyl)-(1-methylimidazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-ethylphenyl)-(1-methylimidazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-ethylphenyl)-(1-methylimidazol-4-yl)methyl]ethanamine is CCNC(c1cccc(CC)c1)c1cn(C)cn1.
What is the InChIKey of N-[(3-ethylphenyl)-(1-methylimidazol-4-yl)methyl]ethanamine?
The InChIKey is PXVJVYKEOSNLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-4-12-7-6-8-13(9-12)15(16-5-2)14-10-18(3)11-17-14/h6-11,15-16H,4-5H2,1-3H3.
What are the key properties of N-[(3-ethylphenyl)-(1-methylimidazol-4-yl)methyl]ethanamine?
N-[(3-ethylphenyl)-(1-methylimidazol-4-yl)methyl]ethanamine has a molecular weight of 243.35 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylphenyl)-(1-methylimidazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 107976676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).