2-[2-[(3-ethyl-4-methoxyphenyl)methyl]-1H-imidazol-5-yl]ethanamine

C15H21N3O — CID 95466138

IUPAC2-[2-[(3-ethyl-4-methoxyphenyl)methyl]-1H-imidazol-5-yl]ethanamine
SMILESCCc1cc(Cc2ncc(CCN)[nH]2)ccc1OC
InChIInChI=1S/C15H21N3O/c1-3-12-8-11(4-5-14(12)19-2)9-15-17-10-13(18-15)6-7-16/h4-5,8,10H,3,6-7,9,16H2,1-2H3,(H,17,18)
InChIKeyHMATZQUBIPHDEI-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.07
Rot. Bonds6

About 2-[2-[(3-ethyl-4-methoxyphenyl)methyl]-1H-imidazol-5-yl]ethanamine

2-[2-[(3-ethyl-4-methoxyphenyl)methyl]-1H-imidazol-5-yl]ethanamine (PubChem CID 95466138) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[2-[(3-ethyl-4-methoxyphenyl)methyl]-1H-imidazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-[(3-ethyl-4-methoxyphenyl)methyl]-1H-imidazol-5-yl]ethanamine
PubChem CID95466138
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-[2-[(3-ethyl-4-methoxyphenyl)methyl]-1H-imidazol-5-yl]ethanamine
SMILESCCc1cc(Cc2ncc(CCN)[nH]2)ccc1OC
InChIInChI=1S/C15H21N3O/c1-3-12-8-11(4-5-14(12)19-2)9-15-17-10-13(18-15)6-7-16/h4-5,8,10H,3,6-7,9,16H2,1-2H3,(H,17,18)
InChIKeyHMATZQUBIPHDEI-UHFFFAOYSA-N
XLogP2.07
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(4-tert-butylphenyl)methyl]-1H-imidazol-5-yl]ethanamine
CID 95465188
N-[[2-[(3,4-dimethoxyphenyl)methyl]-1H-imidazol-5-yl]methyl]propan-1-amine
CID 63109166
2-[2-[(2-methoxy-5-methylphenyl)methyl]-1H-imidazol-5-yl]acetic acid
CID 82301547
N-[[2-[(3,4-dimethoxyphenyl)methyl]-1H-imidazol-5-yl]methyl]cyclopropanamine
CID 63109075
[2-[(2,4-dimethoxyphenyl)methyl]-1H-imidazol-5-yl]methanamine
CID 95458015
N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 95445406
2-[4-[(5-ethyl-2-methoxyphenyl)methoxy]phenyl]ethanamine
CID 82353294
(3-ethyl-4-methoxyphenyl)methanethiol
CID 82125341
4-[(3-ethyl-4-methoxyphenyl)methyl]-3,5-dimethylphenol
CID 66642899
ethyl 3-(3-ethyl-4-methoxyphenyl)propanoate
CID 58566699
4-(5-ethyl-2-methoxyphenyl)-2-methylbutan-1-amine
CID 116924943
2-[(3-ethyl-4-methoxyphenyl)methyl]-1,3-thiazole-5-carbaldehyde
CID 95467468

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-ethyl-4-methoxyphenyl)methyl]-1H-imidazol-5-yl]ethanamine?
The IUPAC name of 2-[2-[(3-ethyl-4-methoxyphenyl)methyl]-1H-imidazol-5-yl]ethanamine (CID 95466138) is 2-[2-[(3-ethyl-4-methoxyphenyl)methyl]-1H-imidazol-5-yl]ethanamine.
What is the SMILES notation for 2-[2-[(3-ethyl-4-methoxyphenyl)methyl]-1H-imidazol-5-yl]ethanamine?
The canonical SMILES for 2-[2-[(3-ethyl-4-methoxyphenyl)methyl]-1H-imidazol-5-yl]ethanamine is CCc1cc(Cc2ncc(CCN)[nH]2)ccc1OC.
What is the InChIKey of 2-[2-[(3-ethyl-4-methoxyphenyl)methyl]-1H-imidazol-5-yl]ethanamine?
The InChIKey is HMATZQUBIPHDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-12-8-11(4-5-14(12)19-2)9-15-17-10-13(18-15)6-7-16/h4-5,8,10H,3,6-7,9,16H2,1-2H3,(H,17,18).
What are the key properties of 2-[2-[(3-ethyl-4-methoxyphenyl)methyl]-1H-imidazol-5-yl]ethanamine?
2-[2-[(3-ethyl-4-methoxyphenyl)methyl]-1H-imidazol-5-yl]ethanamine has a molecular weight of 259.35 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-ethyl-4-methoxyphenyl)methyl]-1H-imidazol-5-yl]ethanamine is sourced from PubChem (CID 95466138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).