1-(2,3-dihydro-1-benzofuran-3-yl)-N-(pyrimidin-4-ylmethyl)methanamine

C14H15N3O — CID 114111090

IUPAC1-(2,3-dihydro-1-benzofuran-3-yl)-N-(pyrimidin-4-ylmethyl)methanamine
SMILESc1ccc2c(c1)OCC2CNCc1ccncn1
InChIInChI=1S/C14H15N3O/c1-2-4-14-13(3-1)11(9-18-14)7-16-8-12-5-6-15-10-17-12/h1-6,10-11,16H,7-9H2
InChIKeyJIIBHKZUCKNMJK-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.74
Rot. Bonds4

About 1-(2,3-dihydro-1-benzofuran-3-yl)-N-(pyrimidin-4-ylmethyl)methanamine

1-(2,3-dihydro-1-benzofuran-3-yl)-N-(pyrimidin-4-ylmethyl)methanamine (PubChem CID 114111090) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-3-yl)-N-(pyrimidin-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-3-yl)-N-(pyrimidin-4-ylmethyl)methanamine
PubChem CID114111090
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name1-(2,3-dihydro-1-benzofuran-3-yl)-N-(pyrimidin-4-ylmethyl)methanamine
SMILESc1ccc2c(c1)OCC2CNCc1ccncn1
InChIInChI=1S/C14H15N3O/c1-2-4-14-13(3-1)11(9-18-14)7-16-8-12-5-6-15-10-17-12/h1-6,10-11,16H,7-9H2
InChIKeyJIIBHKZUCKNMJK-UHFFFAOYSA-N
XLogP1.74
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1-benzofuran-3-yl)-N-(pyridin-4-ylmethyl)methanamine
CID 79226899
2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)ethanol
CID 79226581
N-(1,3-benzodioxol-4-ylmethyl)-1-(2,3-dihydro-1-benzofuran-3-yl)methanamine
CID 79218764
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanamine
CID 79218793
1-(oxolan-3-yl)-N-(pyrimidin-4-ylmethyl)methanamine
CID 62748187
6-chloro-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)hexan-1-amine
CID 114008270
4-[(2,3-dihydro-1-benzofuran-3-ylmethylamino)methyl]benzonitrile
CID 79226666
1-(2,3-dihydro-1-benzofuran-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 79226667
1-cyclopentyl-N-(pyrimidin-4-ylmethyl)methanamine
CID 62760594
N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)propane-1,3-diamine
CID 79226752
N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 113405504
4-bromo-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)butan-1-amine
CID 106844833

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-yl)-N-(pyrimidin-4-ylmethyl)methanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-yl)-N-(pyrimidin-4-ylmethyl)methanamine (CID 114111090) is 1-(2,3-dihydro-1-benzofuran-3-yl)-N-(pyrimidin-4-ylmethyl)methanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-3-yl)-N-(pyrimidin-4-ylmethyl)methanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-3-yl)-N-(pyrimidin-4-ylmethyl)methanamine is c1ccc2c(c1)OCC2CNCc1ccncn1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-3-yl)-N-(pyrimidin-4-ylmethyl)methanamine?
The InChIKey is JIIBHKZUCKNMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-2-4-14-13(3-1)11(9-18-14)7-16-8-12-5-6-15-10-17-12/h1-6,10-11,16H,7-9H2.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-3-yl)-N-(pyrimidin-4-ylmethyl)methanamine?
1-(2,3-dihydro-1-benzofuran-3-yl)-N-(pyrimidin-4-ylmethyl)methanamine has a molecular weight of 241.29 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-3-yl)-N-(pyrimidin-4-ylmethyl)methanamine is sourced from PubChem (CID 114111090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).