N-[[3-(2-ethoxyphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine

C16H23N3O — CID 107446918

IUPACN-[[3-(2-ethoxyphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCCOc1ccccc1-n1cncc1CNC(C)(C)C
InChIInChI=1S/C16H23N3O/c1-5-20-15-9-7-6-8-14(15)19-12-17-10-13(19)11-18-16(2,3)4/h6-10,12,18H,5,11H2,1-4H3
InChIKeyMCIZYWWDTUSVNA-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.16
Rot. Bonds5

About N-[[3-(2-ethoxyphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine

N-[[3-(2-ethoxyphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 107446918) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[[3-(2-ethoxyphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-(2-ethoxyphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID107446918
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[[3-(2-ethoxyphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCCOc1ccccc1-n1cncc1CNC(C)(C)C
InChIInChI=1S/C16H23N3O/c1-5-20-15-9-7-6-8-14(15)19-12-17-10-13(19)11-18-16(2,3)4/h6-10,12,18H,5,11H2,1-4H3
InChIKeyMCIZYWWDTUSVNA-UHFFFAOYSA-N
XLogP3.16
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(2-chlorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107446934
N-[[3-(4-ethoxy-3-fluorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107447060
N-[[3-(6-ethoxy-3-pyridinyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107447047
N-[[3-(2,4-difluorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107446928
2-methyl-N-[[3-(2,4,5-trifluorophenyl)imidazol-4-yl]methyl]propan-2-amine
CID 107447022
N-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]-2-methylpropan-2-amine
CID 5024229
N-[[3-(3,5-dimethoxyphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107446904
2-ethoxy-N-[(3-ethylimidazol-4-yl)methyl]aniline
CID 66118638
N-[[3-(2-chloro-4-iodophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107608528
N-[[3-(2-fluoro-4-methylphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107446960
1-[3-(2-ethoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114703108
2-methyl-N-[[3-(2,3,5-trifluorophenyl)imidazol-4-yl]methyl]propan-2-amine
CID 107447025

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-ethoxyphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-(2-ethoxyphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine (CID 107446918) is N-[[3-(2-ethoxyphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-(2-ethoxyphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-(2-ethoxyphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine is CCOc1ccccc1-n1cncc1CNC(C)(C)C.
What is the InChIKey of N-[[3-(2-ethoxyphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is MCIZYWWDTUSVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-5-20-15-9-7-6-8-14(15)19-12-17-10-13(19)11-18-16(2,3)4/h6-10,12,18H,5,11H2,1-4H3.
What are the key properties of N-[[3-(2-ethoxyphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[3-(2-ethoxyphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 273.38 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-ethoxyphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107446918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).