N-methyl-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-amine

C25H32N2O2 — CID 110241837

IUPACN-methyl-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-amine
SMILESCNC1CCC2(CC1)CN(Cc1ccc3c(c1)CC(C)O3)Cc1ccccc1O2
InChIInChI=1S/C25H32N2O2/c1-18-13-21-14-19(7-8-23(21)28-18)15-27-16-20-5-3-4-6-24(20)29-25(17-27)11-9-22(26-2)10-12-25/h3-8,14,18,22,26H,9-13,15-17H2,1-2H3
InChIKeyGIRFKBVNBPRRRG-UHFFFAOYSA-N
MW392.54 g/mol
LogP4.31
Rot. Bonds3

About N-methyl-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-amine

N-methyl-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-amine (PubChem CID 110241837) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is N-methyl-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-amine.

Molecular Properties

Compound NameN-methyl-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-amine
PubChem CID110241837
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC NameN-methyl-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-amine
SMILESCNC1CCC2(CC1)CN(Cc1ccc3c(c1)CC(C)O3)Cc1ccccc1O2
InChIInChI=1S/C25H32N2O2/c1-18-13-21-14-19(7-8-23(21)28-18)15-27-16-20-5-3-4-6-24(20)29-25(17-27)11-9-22(26-2)10-12-25/h3-8,14,18,22,26H,9-13,15-17H2,1-2H3
InChIKeyGIRFKBVNBPRRRG-UHFFFAOYSA-N
XLogP4.31
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-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-methyl-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-amine?
The IUPAC name of N-methyl-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-amine (CID 110241837) is N-methyl-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-amine.
What is the SMILES notation for N-methyl-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-amine?
The canonical SMILES for N-methyl-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-amine is CNC1CCC2(CC1)CN(Cc1ccc3c(c1)CC(C)O3)Cc1ccccc1O2.
What is the InChIKey of N-methyl-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-amine?
The InChIKey is GIRFKBVNBPRRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-18-13-21-14-19(7-8-23(21)28-18)15-27-16-20-5-3-4-6-24(20)29-25(17-27)11-9-22(26-2)10-12-25/h3-8,14,18,22,26H,9-13,15-17H2,1-2H3.
What are the key properties of N-methyl-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-amine?
N-methyl-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-amine has a molecular weight of 392.54 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-amine is sourced from PubChem (CID 110241837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).