N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine

C14H19N3O — CID 120971253

IUPACN-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCN1CCN=C1NCCc1ccc2c(c1)CCO2
InChIInChI=1S/C14H19N3O/c1-17-8-7-16-14(17)15-6-4-11-2-3-13-12(10-11)5-9-18-13/h2-3,10H,4-9H2,1H3,(H,15,16)
InChIKeyJXTCMLGURRQSAW-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.05
Rot. Bonds3

About N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine

N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine (PubChem CID 120971253) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
PubChem CID120971253
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCN1CCN=C1NCCc1ccc2c(c1)CCO2
InChIInChI=1S/C14H19N3O/c1-17-8-7-16-14(17)15-6-4-11-2-3-13-12(10-11)5-9-18-13/h2-3,10H,4-9H2,1H3,(H,15,16)
InChIKeyJXTCMLGURRQSAW-UHFFFAOYSA-N
XLogP1.05
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[2-(4-methylphenyl)ethyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971314
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpropan-2-amine
CID 64866852
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methylpiperidin-4-amine
CID 65431601
1-methyl-N-(2-pyridin-4-ylethyl)-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971012
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2,3,4-trifluoroaniline
CID 65430652
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120970919
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-propan-2-ylaniline
CID 65430651
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 65446546
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2,6-difluoroaniline
CID 65429911
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1,3-benzodioxol-5-amine
CID 65431228
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-5-fluoro-2-methylaniline
CID 65431040
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-amine
CID 126841363

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine (CID 120971253) is N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine is CN1CCN=C1NCCc1ccc2c(c1)CCO2.
What is the InChIKey of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The InChIKey is JXTCMLGURRQSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-17-8-7-16-14(17)15-6-4-11-2-3-13-12(10-11)5-9-18-13/h2-3,10H,4-9H2,1H3,(H,15,16).
What are the key properties of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine?
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine has a molecular weight of 245.33 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 120971253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).