N-[2-(1-ethylimidazol-2-yl)-1-(2-methoxyphenyl)ethyl]propan-1-amine

C17H25N3O — CID 79751737

IUPACN-[2-(1-ethylimidazol-2-yl)-1-(2-methoxyphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nccn1CC)c1ccccc1OC
InChIInChI=1S/C17H25N3O/c1-4-10-18-15(13-17-19-11-12-20(17)5-2)14-8-6-7-9-16(14)21-3/h6-9,11-12,15,18H,4-5,10,13H2,1-3H3
InChIKeyTVMOHOODYHBVKL-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.19
Rot. Bonds8

About N-[2-(1-ethylimidazol-2-yl)-1-(2-methoxyphenyl)ethyl]propan-1-amine

N-[2-(1-ethylimidazol-2-yl)-1-(2-methoxyphenyl)ethyl]propan-1-amine (PubChem CID 79751737) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[2-(1-ethylimidazol-2-yl)-1-(2-methoxyphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(1-ethylimidazol-2-yl)-1-(2-methoxyphenyl)ethyl]propan-1-amine
PubChem CID79751737
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-[2-(1-ethylimidazol-2-yl)-1-(2-methoxyphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nccn1CC)c1ccccc1OC
InChIInChI=1S/C17H25N3O/c1-4-10-18-15(13-17-19-11-12-20(17)5-2)14-8-6-7-9-16(14)21-3/h6-9,11-12,15,18H,4-5,10,13H2,1-3H3
InChIKeyTVMOHOODYHBVKL-UHFFFAOYSA-N
XLogP3.19
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-ethylimidazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethyl]propan-1-amine
CID 105065826
[1-(2-ethoxyphenyl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine
CID 105260835
N-[1-(2-bromo-3-methylphenyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
CID 107985190
N-[1-(2-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66447483
N-[1-(2-methoxyphenyl)-2-pyridin-4-ylethyl]propan-1-amine
CID 62551587
N-[1-(3-chloro-2-pyridinyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
CID 103444803
N-[1-(2-methyl-3-pyridinyl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 105167698
N-[1-(2-methoxyphenyl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 82877328
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
N-ethyl-2-(1-ethylimidazol-2-yl)-1-(2-fluorophenyl)ethanamine
CID 79752469
N-[2-(1-ethylimidazol-2-yl)-1-(2-methyl-4-pyridinyl)ethyl]propan-1-amine
CID 106755587
1-(2-methoxyphenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 61210525

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-ethylimidazol-2-yl)-1-(2-methoxyphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(1-ethylimidazol-2-yl)-1-(2-methoxyphenyl)ethyl]propan-1-amine (CID 79751737) is N-[2-(1-ethylimidazol-2-yl)-1-(2-methoxyphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(1-ethylimidazol-2-yl)-1-(2-methoxyphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(1-ethylimidazol-2-yl)-1-(2-methoxyphenyl)ethyl]propan-1-amine is CCCNC(Cc1nccn1CC)c1ccccc1OC.
What is the InChIKey of N-[2-(1-ethylimidazol-2-yl)-1-(2-methoxyphenyl)ethyl]propan-1-amine?
The InChIKey is TVMOHOODYHBVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-10-18-15(13-17-19-11-12-20(17)5-2)14-8-6-7-9-16(14)21-3/h6-9,11-12,15,18H,4-5,10,13H2,1-3H3.
What are the key properties of N-[2-(1-ethylimidazol-2-yl)-1-(2-methoxyphenyl)ethyl]propan-1-amine?
N-[2-(1-ethylimidazol-2-yl)-1-(2-methoxyphenyl)ethyl]propan-1-amine has a molecular weight of 287.41 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-ethylimidazol-2-yl)-1-(2-methoxyphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 79751737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).