N-methyl-2-pyridin-2-yl-N-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-ylmethyl)ethanamine

C18H23N3O — CID 118759249

IUPACN-methyl-2-pyridin-2-yl-N-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-ylmethyl)ethanamine
SMILESCN(CCc1ccccn1)Cc1ccc2c(c1)CNCCO2
InChIInChI=1S/C18H23N3O/c1-21(10-7-17-4-2-3-8-20-17)14-15-5-6-18-16(12-15)13-19-9-11-22-18/h2-6,8,12,19H,7,9-11,13-14H2,1H3
InChIKeyVHBSURQROMRGLL-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.24
Rot. Bonds5

About N-methyl-2-pyridin-2-yl-N-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-ylmethyl)ethanamine

N-methyl-2-pyridin-2-yl-N-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-ylmethyl)ethanamine (PubChem CID 118759249) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-methyl-2-pyridin-2-yl-N-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-pyridin-2-yl-N-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-ylmethyl)ethanamine
PubChem CID118759249
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-methyl-2-pyridin-2-yl-N-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-ylmethyl)ethanamine
SMILESCN(CCc1ccccn1)Cc1ccc2c(c1)CNCCO2
InChIInChI=1S/C18H23N3O/c1-21(10-7-17-4-2-3-8-20-17)14-15-5-6-18-16(12-15)13-19-9-11-22-18/h2-6,8,12,19H,7,9-11,13-14H2,1H3
InChIKeyVHBSURQROMRGLL-UHFFFAOYSA-N
XLogP2.24
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-2-pyridin-2-yl-N-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-ylmethyl)ethanamine 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

1H-indol-2-yl-[7-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone
CID 118756230
N-methyl-2-pyridin-2-yl-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103438267
N-methyl-2-pyridin-2-yl-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)ethanamine
CID 104557278
N-methyl-N-[[4-(4-pyrazol-1-ylbutan-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-2-pyridin-2-ylethanamine
CID 126465656
N-(pyridin-4-ylmethyl)-N-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-ylmethyl)ethanamine
CID 118760481
3-(furan-2-yl)-1-[7-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-phenylpropan-1-one
CID 45197720
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-2-pyridin-2-ylethanamine
CID 62419205
3-(6-fluoro-1H-benzimidazol-2-yl)-1-[7-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one
CID 42483506
N-benzyl-N-methyl-2-pyridin-2-ylethanamine;oxalic acid
CID 17384893
N-methyl-2-pyridin-2-yl-N-(pyridin-3-ylmethyl)ethanamine
CID 2055754
5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-1H-pyrazol-3-amine
CID 117038825
N-[(5-bromo-3-pyridinyl)methyl]-N-methyl-2-pyridin-2-ylethanamine
CID 115877394

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-pyridin-2-yl-N-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-ylmethyl)ethanamine?
The IUPAC name of N-methyl-2-pyridin-2-yl-N-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-ylmethyl)ethanamine (CID 118759249) is N-methyl-2-pyridin-2-yl-N-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-ylmethyl)ethanamine.
What is the SMILES notation for N-methyl-2-pyridin-2-yl-N-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-ylmethyl)ethanamine?
The canonical SMILES for N-methyl-2-pyridin-2-yl-N-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-ylmethyl)ethanamine is CN(CCc1ccccn1)Cc1ccc2c(c1)CNCCO2.
What is the InChIKey of N-methyl-2-pyridin-2-yl-N-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-ylmethyl)ethanamine?
The InChIKey is VHBSURQROMRGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-21(10-7-17-4-2-3-8-20-17)14-15-5-6-18-16(12-15)13-19-9-11-22-18/h2-6,8,12,19H,7,9-11,13-14H2,1H3.
What are the key properties of N-methyl-2-pyridin-2-yl-N-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-ylmethyl)ethanamine?
N-methyl-2-pyridin-2-yl-N-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-ylmethyl)ethanamine has a molecular weight of 297.40 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-pyridin-2-yl-N-(2,3,4,5-tetrahydro-1,4-benzoxazepin-7-ylmethyl)ethanamine is sourced from PubChem (CID 118759249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).