N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(3-methylpyrazin-2-yl)ethanamine

C16H19N3O — CID 102612385

IUPACN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(3-methylpyrazin-2-yl)ethanamine
SMILESCc1nccnc1C(C)NCC1Cc2ccccc2O1
InChIInChI=1S/C16H19N3O/c1-11-16(18-8-7-17-11)12(2)19-10-14-9-13-5-3-4-6-15(13)20-14/h3-8,12,14,19H,9-10H2,1-2H3
InChIKeyNFTKOHCVVHEZNE-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.44
Rot. Bonds4

About N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(3-methylpyrazin-2-yl)ethanamine

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(3-methylpyrazin-2-yl)ethanamine (PubChem CID 102612385) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(3-methylpyrazin-2-yl)ethanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(3-methylpyrazin-2-yl)ethanamine
PubChem CID102612385
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(3-methylpyrazin-2-yl)ethanamine
SMILESCc1nccnc1C(C)NCC1Cc2ccccc2O1
InChIInChI=1S/C16H19N3O/c1-11-16(18-8-7-17-11)12(2)19-10-14-9-13-5-3-4-6-15(13)20-14/h3-8,12,14,19H,9-10H2,1-2H3
InChIKeyNFTKOHCVVHEZNE-UHFFFAOYSA-N
XLogP2.44
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-phenylethanamine
CID 79036025
1-(5-bromofuran-2-yl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine
CID 104652832
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 61004141
(2S)-2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)propane-1,2-diamine
CID 104867584
1-(3-bromophenyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine
CID 61003691
(1R)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(3-fluorophenyl)ethanamine
CID 81365797
4-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)butan-2-amine
CID 83186640
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)hexan-2-amine
CID 54895979
3-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 66349179
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylpyrimidin-2-amine
CID 63208579
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine
CID 65169646
3-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrazin-2-amine
CID 62234283

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(3-methylpyrazin-2-yl)ethanamine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(3-methylpyrazin-2-yl)ethanamine (CID 102612385) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(3-methylpyrazin-2-yl)ethanamine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(3-methylpyrazin-2-yl)ethanamine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(3-methylpyrazin-2-yl)ethanamine is Cc1nccnc1C(C)NCC1Cc2ccccc2O1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(3-methylpyrazin-2-yl)ethanamine?
The InChIKey is NFTKOHCVVHEZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11-16(18-8-7-17-11)12(2)19-10-14-9-13-5-3-4-6-15(13)20-14/h3-8,12,14,19H,9-10H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(3-methylpyrazin-2-yl)ethanamine?
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(3-methylpyrazin-2-yl)ethanamine has a molecular weight of 269.35 g/mol, XLogP of 2.44, 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-2-ylmethyl)-1-(3-methylpyrazin-2-yl)ethanamine is sourced from PubChem (CID 102612385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).