[3-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-2-pyridinyl]methanamine

C16H19N3O — CID 63189237

IUPAC[3-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-2-pyridinyl]methanamine
SMILESNCc1ncccc1CN1CCOc2ccccc2C1
InChIInChI=1S/C16H19N3O/c17-10-15-13(5-3-7-18-15)11-19-8-9-20-16-6-2-1-4-14(16)12-19/h1-7H,8-12,17H2
InChIKeyIXZDZZUYVQSLEW-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.93
Rot. Bonds3

About [3-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-2-pyridinyl]methanamine

[3-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-2-pyridinyl]methanamine (PubChem CID 63189237) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is [3-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-2-pyridinyl]methanamine
PubChem CID63189237
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name[3-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-2-pyridinyl]methanamine
SMILESNCc1ncccc1CN1CCOc2ccccc2C1
InChIInChI=1S/C16H19N3O/c17-10-15-13(5-3-7-18-15)11-19-8-9-20-16-6-2-1-4-14(16)12-19/h1-7H,8-12,17H2
InChIKeyIXZDZZUYVQSLEW-UHFFFAOYSA-N
XLogP1.93
TPSA51.38 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 ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-chloroquinolin-8-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine
CID 55846401
1-[[2-(aminomethyl)-3-pyridinyl]methyl]piperidin-4-ol
CID 62888575
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)prop-2-en-1-amine
CID 103070559
12,18,39-tris(naphthalen-1-ylmethyl)-4,26,31-trioxa-1,12,15,18,39-pentazapentacyclo[13.13.13.05,10.020,25.032,37]hentetraconta-5,7,9,20,22,24,32,34,36-nonaene
CID 102023502
[5-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-3-methylfuran-2-yl]methanamine
CID 63193178
[5-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-2-pyridinyl]hydrazine
CID 63192948
1-[1-[[2-(aminomethyl)-3-pyridinyl]methyl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 62893815
[1-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)cyclopropyl]methanamine
CID 113313048
2-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-4-(2-methoxy-3-pyridinyl)phenoxy]acetamide
CID 171907810
[3-[(4-tert-butylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 62895524
[3-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine
CID 55133508
4-propyl-3,5-dihydro-2H-1,4-benzoxazepine
CID 121184859

Frequently Asked Questions

What is the IUPAC name of [3-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-2-pyridinyl]methanamine?
The IUPAC name of [3-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-2-pyridinyl]methanamine (CID 63189237) is [3-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-2-pyridinyl]methanamine.
What is the SMILES notation for [3-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-2-pyridinyl]methanamine?
The canonical SMILES for [3-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-2-pyridinyl]methanamine is NCc1ncccc1CN1CCOc2ccccc2C1.
What is the InChIKey of [3-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-2-pyridinyl]methanamine?
The InChIKey is IXZDZZUYVQSLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c17-10-15-13(5-3-7-18-15)11-19-8-9-20-16-6-2-1-4-14(16)12-19/h1-7H,8-12,17H2.
What are the key properties of [3-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-2-pyridinyl]methanamine?
[3-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-2-pyridinyl]methanamine has a molecular weight of 269.35 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-2-pyridinyl]methanamine is sourced from PubChem (CID 63189237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).