1-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-4-pyridinyl]-N-methylmethanamine

C16H19N3O — CID 63192955

IUPAC1-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccnc(N2CCOc3ccccc3C2)c1
InChIInChI=1S/C16H19N3O/c1-17-11-13-6-7-18-16(10-13)19-8-9-20-15-5-3-2-4-14(15)12-19/h2-7,10,17H,8-9,11-12H2,1H3
InChIKeyAGLZSYCUDQRUNU-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.20
Rot. Bonds3

About 1-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-4-pyridinyl]-N-methylmethanamine

1-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-4-pyridinyl]-N-methylmethanamine (PubChem CID 63192955) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-4-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-4-pyridinyl]-N-methylmethanamine
PubChem CID63192955
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccnc(N2CCOc3ccccc3C2)c1
InChIInChI=1S/C16H19N3O/c1-17-11-13-6-7-18-16(10-13)19-8-9-20-15-5-3-2-4-14(15)12-19/h2-7,10,17H,8-9,11-12H2,1H3
InChIKeyAGLZSYCUDQRUNU-UHFFFAOYSA-N
XLogP2.20
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pyrazin-2-yl]-N-methylmethanamine
CID 107380160
1-[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-3-fluorophenyl]-N-methylmethanamine
CID 63193329
6-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-methylpyrimidin-4-amine
CID 80827707
1-[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-6-methyl-3-pyridinyl]-N-methylmethanamine
CID 81253777
1-[2-(azocan-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 62280361
4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-propylpyrimidin-2-amine
CID 80812071
[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pyrimidin-2-yl]hydrazine
CID 80913681
1-[2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 62281361
N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]methyl]propan-1-amine
CID 62284463
[5-chloro-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-4-pyridinyl]methanamine
CID 114926415
N-methyl-1-[2-(1-oxo-1,4-thiazinan-4-yl)-4-pyridinyl]methanamine
CID 62293701
2-[6-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-3-pyridinyl]ethanamine
CID 80634721

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-4-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-4-pyridinyl]-N-methylmethanamine (CID 63192955) is 1-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-4-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-4-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-4-pyridinyl]-N-methylmethanamine is CNCc1ccnc(N2CCOc3ccccc3C2)c1.
What is the InChIKey of 1-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-4-pyridinyl]-N-methylmethanamine?
The InChIKey is AGLZSYCUDQRUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-17-11-13-6-7-18-16(10-13)19-8-9-20-15-5-3-2-4-14(15)12-19/h2-7,10,17H,8-9,11-12H2,1H3.
What are the key properties of 1-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-4-pyridinyl]-N-methylmethanamine?
1-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-4-pyridinyl]-N-methylmethanamine has a molecular weight of 269.35 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-4-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 63192955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).