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

C16H21N3O — CID 104542825

IUPACN-[2,3-dihydro-1-benzofuran-5-yl-(3-methylimidazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc2c(c1)CCO2)c1cncn1C
InChIInChI=1S/C16H21N3O/c1-3-7-18-16(14-10-17-11-19(14)2)13-4-5-15-12(9-13)6-8-20-15/h4-5,9-11,16,18H,3,6-8H2,1-2H3
InChIKeyTZTZECOMUJWRSX-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.44
Rot. Bonds5

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

N-[2,3-dihydro-1-benzofuran-5-yl-(3-methylimidazol-4-yl)methyl]propan-1-amine (PubChem CID 104542825) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[2,3-dihydro-1-benzofuran-5-yl-(3-methylimidazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[2,3-dihydro-1-benzofuran-5-yl-(3-methylimidazol-4-yl)methyl]propan-1-amine
PubChem CID104542825
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[2,3-dihydro-1-benzofuran-5-yl-(3-methylimidazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc2c(c1)CCO2)c1cncn1C
InChIInChI=1S/C16H21N3O/c1-3-7-18-16(14-10-17-11-19(14)2)13-4-5-15-12(9-13)6-8-20-15/h4-5,9-11,16,18H,3,6-8H2,1-2H3
InChIKeyTZTZECOMUJWRSX-UHFFFAOYSA-N
XLogP2.44
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2,3-dihydro-1-benzofuran-5-yl(pyridazin-4-yl)methyl]propan-1-amine
CID 105180168
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-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 105180121
N-[cyclopenten-1-yl(2,3-dihydro-1-benzofuran-5-yl)methyl]propan-1-amine
CID 62200506
N-[2,3-dihydro-1-benzofuran-5-yl-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 115858500
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-[(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 82902794
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)-3-methyl-N-propylbutan-1-amine
CID 43495458

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1-benzofuran-5-yl-(3-methylimidazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[2,3-dihydro-1-benzofuran-5-yl-(3-methylimidazol-4-yl)methyl]propan-1-amine (CID 104542825) is N-[2,3-dihydro-1-benzofuran-5-yl-(3-methylimidazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[2,3-dihydro-1-benzofuran-5-yl-(3-methylimidazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[2,3-dihydro-1-benzofuran-5-yl-(3-methylimidazol-4-yl)methyl]propan-1-amine is CCCNC(c1ccc2c(c1)CCO2)c1cncn1C.
What is the InChIKey of N-[2,3-dihydro-1-benzofuran-5-yl-(3-methylimidazol-4-yl)methyl]propan-1-amine?
The InChIKey is TZTZECOMUJWRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-7-18-16(14-10-17-11-19(14)2)13-4-5-15-12(9-13)6-8-20-15/h4-5,9-11,16,18H,3,6-8H2,1-2H3.
What are the key properties of N-[2,3-dihydro-1-benzofuran-5-yl-(3-methylimidazol-4-yl)methyl]propan-1-amine?
N-[2,3-dihydro-1-benzofuran-5-yl-(3-methylimidazol-4-yl)methyl]propan-1-amine has a molecular weight of 271.36 g/mol, XLogP of 2.44, 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-(3-methylimidazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 104542825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).