3-(2,3-dihydro-1-benzofuran-5-yl)-1-(6-methoxypyrimidin-4-yl)propan-1-amine

C16H19N3O2 — CID 102950820

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)-1-(6-methoxypyrimidin-4-yl)propan-1-amine
SMILESCOc1cc(C(N)CCc2ccc3c(c2)CCO3)ncn1
InChIInChI=1S/C16H19N3O2/c1-20-16-9-14(18-10-19-16)13(17)4-2-11-3-5-15-12(8-11)6-7-21-15/h3,5,8-10,13H,2,4,6-7,17H2,1H3
InChIKeyHYDIRUAKFADHOJ-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.05
Rot. Bonds5

About 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(6-methoxypyrimidin-4-yl)propan-1-amine

3-(2,3-dihydro-1-benzofuran-5-yl)-1-(6-methoxypyrimidin-4-yl)propan-1-amine (PubChem CID 102950820) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(6-methoxypyrimidin-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-yl)-1-(6-methoxypyrimidin-4-yl)propan-1-amine
PubChem CID102950820
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)-1-(6-methoxypyrimidin-4-yl)propan-1-amine
SMILESCOc1cc(C(N)CCc2ccc3c(c2)CCO3)ncn1
InChIInChI=1S/C16H19N3O2/c1-20-16-9-14(18-10-19-16)13(17)4-2-11-3-5-15-12(8-11)6-7-21-15/h3,5,8-10,13H,2,4,6-7,17H2,1H3
InChIKeyHYDIRUAKFADHOJ-UHFFFAOYSA-N
XLogP2.05
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methyl-3-pyridinyl)propan-1-amine
CID 105152090
1-(3,5-dibromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 107975539
1-(2,3-dihydro-1-benzofuran-5-yl)-5-methylhexan-3-amine
CID 65446268
4-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylphenyl)butan-2-amine
CID 65446280
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-methoxycyclobutyl)propan-1-amine
CID 116713989
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(1,3-dimethylpyrazol-4-yl)propan-1-amine
CID 102803817
1-(3-bromo-4-methylphenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 115864516
5-(2,3-dihydro-1-benzofuran-5-yl)-3-methylpentan-1-amine
CID 65300933
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-fluorophenyl)propan-1-amine
CID 65447215
1-(2,5-dichlorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 115864532
1-(2,3-dihydro-1-benzofuran-5-yl)-5-methoxy-N-methylpentan-3-amine
CID 65445330
1-(4,5-dibromothiophen-2-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 115864469

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(6-methoxypyrimidin-4-yl)propan-1-amine?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(6-methoxypyrimidin-4-yl)propan-1-amine (CID 102950820) is 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(6-methoxypyrimidin-4-yl)propan-1-amine.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(6-methoxypyrimidin-4-yl)propan-1-amine?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(6-methoxypyrimidin-4-yl)propan-1-amine is COc1cc(C(N)CCc2ccc3c(c2)CCO3)ncn1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(6-methoxypyrimidin-4-yl)propan-1-amine?
The InChIKey is HYDIRUAKFADHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-20-16-9-14(18-10-19-16)13(17)4-2-11-3-5-15-12(8-11)6-7-21-15/h3,5,8-10,13H,2,4,6-7,17H2,1H3.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(6-methoxypyrimidin-4-yl)propan-1-amine?
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(6-methoxypyrimidin-4-yl)propan-1-amine has a molecular weight of 285.35 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(6-methoxypyrimidin-4-yl)propan-1-amine is sourced from PubChem (CID 102950820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).