N-[2,3-dihydro-1-benzofuran-5-yl(pyrimidin-4-yl)methyl]ethanamine

C15H17N3O — CID 104542545

IUPACN-[2,3-dihydro-1-benzofuran-5-yl(pyrimidin-4-yl)methyl]ethanamine
SMILESCCNC(c1ccc2c(c1)CCO2)c1ccncn1
InChIInChI=1S/C15H17N3O/c1-2-17-15(13-5-7-16-10-18-13)12-3-4-14-11(9-12)6-8-19-14/h3-5,7,9-10,15,17H,2,6,8H2,1H3
InChIKeyIAZGDGYIVAFNNG-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.11
Rot. Bonds4

About N-[2,3-dihydro-1-benzofuran-5-yl(pyrimidin-4-yl)methyl]ethanamine

N-[2,3-dihydro-1-benzofuran-5-yl(pyrimidin-4-yl)methyl]ethanamine (PubChem CID 104542545) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[2,3-dihydro-1-benzofuran-5-yl(pyrimidin-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[2,3-dihydro-1-benzofuran-5-yl(pyrimidin-4-yl)methyl]ethanamine
PubChem CID104542545
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-[2,3-dihydro-1-benzofuran-5-yl(pyrimidin-4-yl)methyl]ethanamine
SMILESCCNC(c1ccc2c(c1)CCO2)c1ccncn1
InChIInChI=1S/C15H17N3O/c1-2-17-15(13-5-7-16-10-18-13)12-3-4-14-11(9-12)6-8-19-14/h3-5,7,9-10,15,17H,2,6,8H2,1H3
InChIKeyIAZGDGYIVAFNNG-UHFFFAOYSA-N
XLogP2.11
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2,3-dihydro-1-benzofuran-5-yl(pyrimidin-4-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(pyrimidin-4-yl)methyl]ethanamine
CID 63990205
N-[2,3-dihydro-1-benzofuran-5-yl(2H-triazol-4-yl)methyl]ethanamine
CID 113425125
N-[(S)-2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]ethanamine
CID 51695445
N-[2,3-dihydro-1-benzofuran-5-yl(1,3-thiazol-2-yl)methyl]ethanamine
CID 61330790
N-[2,3-dihydro-1-benzofuran-5-yl(phenyl)methyl]ethanamine
CID 43489842
N-[2,3-dihydro-1-benzofuran-5-yl-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 115858500
N-[2,3-dihydro-1-benzofuran-5-yl-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 105180121
N-[2,3-dihydro-1-benzofuran-5-yl-(5-methylfuran-2-yl)methyl]ethanamine
CID 43489820
N-[2,3-dihydro-1,4-benzodioxin-6-yl(pyridin-2-yl)methyl]ethanamine
CID 62789488
N-[(3-chloro-4-iodophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine
CID 103216192
N-[2,3-dihydro-1-benzofuran-5-yl-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 63209957
N-[(5-bromofuran-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine
CID 43489829

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1-benzofuran-5-yl(pyrimidin-4-yl)methyl]ethanamine?
The IUPAC name of N-[2,3-dihydro-1-benzofuran-5-yl(pyrimidin-4-yl)methyl]ethanamine (CID 104542545) is N-[2,3-dihydro-1-benzofuran-5-yl(pyrimidin-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[2,3-dihydro-1-benzofuran-5-yl(pyrimidin-4-yl)methyl]ethanamine?
The canonical SMILES for N-[2,3-dihydro-1-benzofuran-5-yl(pyrimidin-4-yl)methyl]ethanamine is CCNC(c1ccc2c(c1)CCO2)c1ccncn1.
What is the InChIKey of N-[2,3-dihydro-1-benzofuran-5-yl(pyrimidin-4-yl)methyl]ethanamine?
The InChIKey is IAZGDGYIVAFNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-2-17-15(13-5-7-16-10-18-13)12-3-4-14-11(9-12)6-8-19-14/h3-5,7,9-10,15,17H,2,6,8H2,1H3.
What are the key properties of N-[2,3-dihydro-1-benzofuran-5-yl(pyrimidin-4-yl)methyl]ethanamine?
N-[2,3-dihydro-1-benzofuran-5-yl(pyrimidin-4-yl)methyl]ethanamine has a molecular weight of 255.32 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydro-1-benzofuran-5-yl(pyrimidin-4-yl)methyl]ethanamine is sourced from PubChem (CID 104542545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).