N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-2-ethoxypyridin-3-amine

C17H20N2O2 — CID 106700917

IUPACN-(2,2-dimethyl-3H-1-benzofuran-3-yl)-2-ethoxypyridin-3-amine
SMILESCCOc1ncccc1NC1c2ccccc2OC1(C)C
InChIInChI=1S/C17H20N2O2/c1-4-20-16-13(9-7-11-18-16)19-15-12-8-5-6-10-14(12)21-17(15,2)3/h5-11,15,19H,4H2,1-3H3
InChIKeyQZKWQFBEUPFQHR-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.80
Rot. Bonds4

About N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-2-ethoxypyridin-3-amine

N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-2-ethoxypyridin-3-amine (PubChem CID 106700917) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-2-ethoxypyridin-3-amine.

Molecular Properties

Compound NameN-(2,2-dimethyl-3H-1-benzofuran-3-yl)-2-ethoxypyridin-3-amine
PubChem CID106700917
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-(2,2-dimethyl-3H-1-benzofuran-3-yl)-2-ethoxypyridin-3-amine
SMILESCCOc1ncccc1NC1c2ccccc2OC1(C)C
InChIInChI=1S/C17H20N2O2/c1-4-20-16-13(9-7-11-18-16)19-15-12-8-5-6-10-14(12)21-17(15,2)3/h5-11,15,19H,4H2,1-3H3
InChIKeyQZKWQFBEUPFQHR-UHFFFAOYSA-N
XLogP3.80
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-2-ethoxypyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-dihydro-2H-thiochromen-4-yl)-2-ethoxypyridin-3-amine
CID 43706292
N-(5-bromo-2,4-difluorophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701491
N-(2-ethoxypropyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701430
N-(4-chlorophenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106700731
2-ethoxy-N-(thian-4-yl)pyridin-3-amine
CID 43706527
N-(2-methoxyethoxy)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701361
(3S,4R)-4-ethoxy-2,2-dimethyl-3,4-dihydrochromen-3-ol
CID 177434477
N-[(1-ethylpiperidin-4-yl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701076
N-(5-bromo-4-fluoro-2-methylphenyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 107591738
2-ethoxy-N-[(2-methylphenyl)methyl]pyridin-3-amine
CID 43706219
N-(3,4-dimethylcyclohexyl)-2-ethoxypyridin-3-amine
CID 64734172
3-N-(2-ethoxy-3-pyridinyl)cyclopentane-1,3-diamine
CID 79462625

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-2-ethoxypyridin-3-amine?
The IUPAC name of N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-2-ethoxypyridin-3-amine (CID 106700917) is N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-2-ethoxypyridin-3-amine.
What is the SMILES notation for N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-2-ethoxypyridin-3-amine?
The canonical SMILES for N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-2-ethoxypyridin-3-amine is CCOc1ncccc1NC1c2ccccc2OC1(C)C.
What is the InChIKey of N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-2-ethoxypyridin-3-amine?
The InChIKey is QZKWQFBEUPFQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-4-20-16-13(9-7-11-18-16)19-15-12-8-5-6-10-14(12)21-17(15,2)3/h5-11,15,19H,4H2,1-3H3.
What are the key properties of N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-2-ethoxypyridin-3-amine?
N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-2-ethoxypyridin-3-amine has a molecular weight of 284.36 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-2-ethoxypyridin-3-amine is sourced from PubChem (CID 106700917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).