N-(1-benzofuran-5-ylmethyl)-N-ethyl-2,2-dimethyloxan-4-amine

C18H25NO2 — CID 126816273

IUPACN-(1-benzofuran-5-ylmethyl)-N-ethyl-2,2-dimethyloxan-4-amine
SMILESCCN(Cc1ccc2occc2c1)C1CCOC(C)(C)C1
InChIInChI=1S/C18H25NO2/c1-4-19(16-8-10-21-18(2,3)12-16)13-14-5-6-17-15(11-14)7-9-20-17/h5-7,9,11,16H,4,8,10,12-13H2,1-3H3
InChIKeyIAPDKNWWSLSALL-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.21
Rot. Bonds4

About N-(1-benzofuran-5-ylmethyl)-N-ethyl-2,2-dimethyloxan-4-amine

N-(1-benzofuran-5-ylmethyl)-N-ethyl-2,2-dimethyloxan-4-amine (PubChem CID 126816273) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-(1-benzofuran-5-ylmethyl)-N-ethyl-2,2-dimethyloxan-4-amine.

Molecular Properties

Compound NameN-(1-benzofuran-5-ylmethyl)-N-ethyl-2,2-dimethyloxan-4-amine
PubChem CID126816273
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC NameN-(1-benzofuran-5-ylmethyl)-N-ethyl-2,2-dimethyloxan-4-amine
SMILESCCN(Cc1ccc2occc2c1)C1CCOC(C)(C)C1
InChIInChI=1S/C18H25NO2/c1-4-19(16-8-10-21-18(2,3)12-16)13-14-5-6-17-15(11-14)7-9-20-17/h5-7,9,11,16H,4,8,10,12-13H2,1-3H3
InChIKeyIAPDKNWWSLSALL-UHFFFAOYSA-N
XLogP4.21
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(1-benzofuran-5-ylmethyl)-N-ethyl-2,2-dimethyloxan-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-5-ylmethyl)-N-ethyl-2,2-dimethyloxan-4-amine?
The IUPAC name of N-(1-benzofuran-5-ylmethyl)-N-ethyl-2,2-dimethyloxan-4-amine (CID 126816273) is N-(1-benzofuran-5-ylmethyl)-N-ethyl-2,2-dimethyloxan-4-amine.
What is the SMILES notation for N-(1-benzofuran-5-ylmethyl)-N-ethyl-2,2-dimethyloxan-4-amine?
The canonical SMILES for N-(1-benzofuran-5-ylmethyl)-N-ethyl-2,2-dimethyloxan-4-amine is CCN(Cc1ccc2occc2c1)C1CCOC(C)(C)C1.
What is the InChIKey of N-(1-benzofuran-5-ylmethyl)-N-ethyl-2,2-dimethyloxan-4-amine?
The InChIKey is IAPDKNWWSLSALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-4-19(16-8-10-21-18(2,3)12-16)13-14-5-6-17-15(11-14)7-9-20-17/h5-7,9,11,16H,4,8,10,12-13H2,1-3H3.
What are the key properties of N-(1-benzofuran-5-ylmethyl)-N-ethyl-2,2-dimethyloxan-4-amine?
N-(1-benzofuran-5-ylmethyl)-N-ethyl-2,2-dimethyloxan-4-amine has a molecular weight of 287.40 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-5-ylmethyl)-N-ethyl-2,2-dimethyloxan-4-amine is sourced from PubChem (CID 126816273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).