N,N-dimethyl-1-(7-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-3-yl)methanamine

C13H20N2O — CID 110226250

IUPACN,N-dimethyl-1-(7-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-3-yl)methanamine
SMILESCc1ccc2c(c1)CNC(CN(C)C)CO2
InChIInChI=1S/C13H20N2O/c1-10-4-5-13-11(6-10)7-14-12(9-16-13)8-15(2)3/h4-6,12,14H,7-9H2,1-3H3
InChIKeyHRFOGLRNCLGEPG-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.41
Rot. Bonds2

About N,N-dimethyl-1-(7-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-3-yl)methanamine

N,N-dimethyl-1-(7-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-3-yl)methanamine (PubChem CID 110226250) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N,N-dimethyl-1-(7-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-3-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(7-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-3-yl)methanamine
PubChem CID110226250
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN,N-dimethyl-1-(7-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-3-yl)methanamine
SMILESCc1ccc2c(c1)CNC(CN(C)C)CO2
InChIInChI=1S/C13H20N2O/c1-10-4-5-13-11(6-10)7-14-12(9-16-13)8-15(2)3/h4-6,12,14H,7-9H2,1-3H3
InChIKeyHRFOGLRNCLGEPG-UHFFFAOYSA-N
XLogP1.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,N-dimethyl-1-(7-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-3-yl)methanamine 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,N-dimethyl-1-(7-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-3-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(7-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-3-yl)methanamine (CID 110226250) is N,N-dimethyl-1-(7-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-3-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(7-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-3-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(7-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-3-yl)methanamine is Cc1ccc2c(c1)CNC(CN(C)C)CO2.
What is the InChIKey of N,N-dimethyl-1-(7-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-3-yl)methanamine?
The InChIKey is HRFOGLRNCLGEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-4-5-13-11(6-10)7-14-12(9-16-13)8-15(2)3/h4-6,12,14H,7-9H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(7-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-3-yl)methanamine?
N,N-dimethyl-1-(7-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-3-yl)methanamine has a molecular weight of 220.32 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(7-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-3-yl)methanamine is sourced from PubChem (CID 110226250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).