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

C17H25N3O — CID 106261698

IUPACN-[[3-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCOc1ccccc1CCn1cncc1CNC(C)(C)C
InChIInChI=1S/C17H25N3O/c1-17(2,3)19-12-15-11-18-13-20(15)10-9-14-7-5-6-8-16(14)21-4/h5-8,11,13,19H,9-10,12H2,1-4H3
InChIKeyOXNUXHMVKIMXPV-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.02
Rot. Bonds6

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

N-[[3-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 106261698) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[[3-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID106261698
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-[[3-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCOc1ccccc1CCn1cncc1CNC(C)(C)C
InChIInChI=1S/C17H25N3O/c1-17(2,3)19-12-15-11-18-13-20(15)10-9-14-7-5-6-8-16(14)21-4/h5-8,11,13,19H,9-10,12H2,1-4H3
InChIKeyOXNUXHMVKIMXPV-UHFFFAOYSA-N
XLogP3.02
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66147953
2-(2-methoxyphenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 106259901
2-methyl-N-[[3-(2-pyridin-2-ylethyl)imidazol-4-yl]methyl]propan-2-amine
CID 66146912
1-[3-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]ethanamine
CID 106261741
N-[[3-[2-(furan-2-yl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66148632
2-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66134768
2-methyl-N-[[3-(2-thiophen-2-ylethyl)imidazol-4-yl]methyl]propan-2-amine
CID 66147964
2-methyl-N-[[3-(4-methylpentyl)imidazol-4-yl]methyl]propan-2-amine
CID 66150352
1-[2-(2-methoxyphenyl)ethyl]-5-pyrrolidin-3-ylimidazole
CID 106261724
2-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 114703081
N-[[3-(2-ethoxyphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107446918
3-[3-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]piperidine
CID 106261736

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine (CID 106261698) is N-[[3-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine is COc1ccccc1CCn1cncc1CNC(C)(C)C.
What is the InChIKey of N-[[3-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is OXNUXHMVKIMXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-17(2,3)19-12-15-11-18-13-20(15)10-9-14-7-5-6-8-16(14)21-4/h5-8,11,13,19H,9-10,12H2,1-4H3.
What are the key properties of N-[[3-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[3-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 287.41 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 106261698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).