5-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-methylpyridin-2-amine

C16H19N3O — CID 63193252

IUPAC5-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-methylpyridin-2-amine
SMILESCNc1ccc(CN2CCOc3ccccc3C2)cn1
InChIInChI=1S/C16H19N3O/c1-17-16-7-6-13(10-18-16)11-19-8-9-20-15-5-3-2-4-14(15)12-19/h2-7,10H,8-9,11-12H2,1H3,(H,17,18)
InChIKeyZBWAVPKCOXURCN-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.52
Rot. Bonds3

About 5-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-methylpyridin-2-amine

5-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-methylpyridin-2-amine (PubChem CID 63193252) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 5-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-methylpyridin-2-amine
PubChem CID63193252
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name5-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-methylpyridin-2-amine
SMILESCNc1ccc(CN2CCOc3ccccc3C2)cn1
InChIInChI=1S/C16H19N3O/c1-17-16-7-6-13(10-18-16)11-19-8-9-20-15-5-3-2-4-14(15)12-19/h2-7,10H,8-9,11-12H2,1H3,(H,17,18)
InChIKeyZBWAVPKCOXURCN-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-2-pyridinyl]hydrazine
CID 63192948
4-[[6-(methylamino)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzoxazepin-5-one
CID 104526844
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N,6-dimethylpyrimidin-4-amine
CID 80657443
5-(azepan-1-ylmethyl)-N-methylpyridin-2-amine
CID 62182145
4-[[6-(methylamino)-3-pyridinyl]methyl]piperazine-2,6-dione
CID 66085785
5-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-2-methoxyaniline
CID 63189317
1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-methylpropan-2-amine
CID 63189675
5-[(4,4-diethylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine
CID 63160322
4-propyl-3,5-dihydro-2H-1,4-benzoxazepine
CID 121184859
6-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-methylpyrimidin-4-amine
CID 80827707
1-[[6-(methylamino)-3-pyridinyl]methyl]azetidin-3-ol
CID 130991793
4-[(3-bromo-5-fluorophenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine
CID 79706573

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-methylpyridin-2-amine?
The IUPAC name of 5-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-methylpyridin-2-amine (CID 63193252) is 5-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-methylpyridin-2-amine.
What is the SMILES notation for 5-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-methylpyridin-2-amine?
The canonical SMILES for 5-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-methylpyridin-2-amine is CNc1ccc(CN2CCOc3ccccc3C2)cn1.
What is the InChIKey of 5-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-methylpyridin-2-amine?
The InChIKey is ZBWAVPKCOXURCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-17-16-7-6-13(10-18-16)11-19-8-9-20-15-5-3-2-4-14(15)12-19/h2-7,10H,8-9,11-12H2,1H3,(H,17,18).
What are the key properties of 5-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-methylpyridin-2-amine?
5-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-methylpyridin-2-amine has a molecular weight of 269.35 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 63193252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).