5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-amine

C16H16N2O2 — CID 146388600

IUPAC5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-amine
SMILESNc1c(-c2ccnc(OC3CC3)c2)ccc2c1CCO2
InChIInChI=1S/C16H16N2O2/c17-16-12(3-4-14-13(16)6-8-19-14)10-5-7-18-15(9-10)20-11-1-2-11/h3-5,7,9,11H,1-2,6,8,17H2
InChIKeyUGXIOFUSSZTJTK-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.81
Rot. Bonds3

About 5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-amine

5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-amine (PubChem CID 146388600) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-amine.

Molecular Properties

Compound Name5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-amine
PubChem CID146388600
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-amine
SMILESNc1c(-c2ccnc(OC3CC3)c2)ccc2c1CCO2
InChIInChI=1S/C16H16N2O2/c17-16-12(3-4-14-13(16)6-8-19-14)10-5-7-18-15(9-10)20-11-1-2-11/h3-5,7,9,11H,1-2,6,8,17H2
InChIKeyUGXIOFUSSZTJTK-UHFFFAOYSA-N
XLogP2.81
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

US10155760, Example 49
CID 118420369
3-(Benzyloxy)-4-(pyridin-3-yl)aniline
CID 118735165
1-Octyl-3-(piperidin-1-ylmethyl)-6-propan-2-yloxyindole
CID 145951049
US10155760, Example 90
CID 118429948
3-[(Z)-2-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)ethenyl]pyridine
CID 10757143
cis-(1R,3S)-3-(4-heptan-2-yloxy-1H-indol-7-yl)cyclohexan-1-ol
CID 44282167
2-[(Z)-2-(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)ethenyl]pyridine
CID 44344727
(2,3-Dihydro-1-benzofuran-5-ylmethyl)methyl[1-methyl-2-(4-methylpyridin-2-yl)ethyl]amine
CID 46996683
(2,3-Dihydro-1-benzofuran-5-ylmethyl)methyl(1-methyl-2-pyridin-2-ylethyl)amine
CID 50963961
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(pyridin-3-ylmethyl)piperidin-4-amine
CID 75428107
6-Methoxy-1-(4-phenoxybutyl)-3-(piperidin-1-ylmethyl)indole
CID 145956433
4-(2-Heptyloxy)-7-(3-hydroxycyclohexyl)indole
CID 128142

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-amine?
The IUPAC name of 5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-amine (CID 146388600) is 5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-amine.
What is the SMILES notation for 5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-amine?
The canonical SMILES for 5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-amine is Nc1c(-c2ccnc(OC3CC3)c2)ccc2c1CCO2.
What is the InChIKey of 5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-amine?
The InChIKey is UGXIOFUSSZTJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c17-16-12(3-4-14-13(16)6-8-19-14)10-5-7-18-15(9-10)20-11-1-2-11/h3-5,7,9,11H,1-2,6,8,17H2.
What are the key properties of 5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-amine?
5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-amine has a molecular weight of 268.32 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropyloxy-4-pyridinyl)-2,3-dihydro-1-benzofuran-4-amine is sourced from PubChem (CID 146388600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).