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

C16H19N3O — CID 105180168

IUPACN-[2,3-dihydro-1-benzofuran-5-yl(pyridazin-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccnnc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H19N3O/c1-2-7-17-16(14-5-8-18-19-11-14)13-3-4-15-12(10-13)6-9-20-15/h3-5,8,10-11,16-17H,2,6-7,9H2,1H3
InChIKeyVTFSLVOABFVDMN-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.50
Rot. Bonds5

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

N-[2,3-dihydro-1-benzofuran-5-yl(pyridazin-4-yl)methyl]propan-1-amine (PubChem CID 105180168) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[2,3-dihydro-1-benzofuran-5-yl(pyridazin-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[2,3-dihydro-1-benzofuran-5-yl(pyridazin-4-yl)methyl]propan-1-amine
PubChem CID105180168
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-[2,3-dihydro-1-benzofuran-5-yl(pyridazin-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccnnc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H19N3O/c1-2-7-17-16(14-5-8-18-19-11-14)13-3-4-15-12(10-13)6-9-20-15/h3-5,8,10-11,16-17H,2,6-7,9H2,1H3
InChIKeyVTFSLVOABFVDMN-UHFFFAOYSA-N
XLogP2.50
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2,3-dihydro-1-benzofuran-5-yl(pyridazin-4-yl)methyl]propan-1-amine 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-[2,3-dihydro-1-benzofuran-5-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
CID 105180181
N-[2,3-dihydro-1-benzofuran-5-yl-(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 104542825
N-[cyclopenten-1-yl(2,3-dihydro-1-benzofuran-5-yl)methyl]propan-1-amine
CID 62200506
N-[(S)-2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]ethanamine
CID 51695445
1-(2,3-dihydro-1-benzofuran-5-yl)-3-methyl-N-propylbutan-1-amine
CID 43495458
N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]propan-1-amine
CID 61027484
N-[2,3-dihydro-1-benzofuran-5-yl-(2-iodophenyl)methyl]propan-1-amine
CID 43495451
N-[2,3-dihydro-1-benzofuran-5-yl-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine
CID 43495424
N-[1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-difluoroethyl]propan-1-amine
CID 80605296
1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethyl-N-propylbutan-1-amine
CID 43495473
1-(2,3-dihydro-1-benzofuran-5-yl)-N-propylethane-1,2-diamine
CID 62065655
N-[(5-chloro-4-methylthiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]propan-1-amine
CID 102764063

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1-benzofuran-5-yl(pyridazin-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[2,3-dihydro-1-benzofuran-5-yl(pyridazin-4-yl)methyl]propan-1-amine (CID 105180168) is N-[2,3-dihydro-1-benzofuran-5-yl(pyridazin-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[2,3-dihydro-1-benzofuran-5-yl(pyridazin-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[2,3-dihydro-1-benzofuran-5-yl(pyridazin-4-yl)methyl]propan-1-amine is CCCNC(c1ccnnc1)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[2,3-dihydro-1-benzofuran-5-yl(pyridazin-4-yl)methyl]propan-1-amine?
The InChIKey is VTFSLVOABFVDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-7-17-16(14-5-8-18-19-11-14)13-3-4-15-12(10-13)6-9-20-15/h3-5,8,10-11,16-17H,2,6-7,9H2,1H3.
What are the key properties of N-[2,3-dihydro-1-benzofuran-5-yl(pyridazin-4-yl)methyl]propan-1-amine?
N-[2,3-dihydro-1-benzofuran-5-yl(pyridazin-4-yl)methyl]propan-1-amine has a molecular weight of 269.35 g/mol, XLogP of 2.50, 5 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(pyridazin-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 105180168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).