N-(6-methoxy-3-pyridinyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine

C16H19N3O — CID 103980315

IUPACN-(6-methoxy-3-pyridinyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
SMILESCOc1ccc(NC2CCNCc3ccccc32)cn1
InChIInChI=1S/C16H19N3O/c1-20-16-7-6-13(11-18-16)19-15-8-9-17-10-12-4-2-3-5-14(12)15/h2-7,11,15,17,19H,8-10H2,1H3
InChIKeyPQBFIKJYOWAJIP-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.74
Rot. Bonds3

About N-(6-methoxy-3-pyridinyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine

N-(6-methoxy-3-pyridinyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine (PubChem CID 103980315) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
PubChem CID103980315
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-(6-methoxy-3-pyridinyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
SMILESCOc1ccc(NC2CCNCc3ccccc32)cn1
InChIInChI=1S/C16H19N3O/c1-20-16-7-6-13(11-18-16)19-15-8-9-17-10-12-4-2-3-5-14(12)15/h2-7,11,15,17,19H,8-10H2,1H3
InChIKeyPQBFIKJYOWAJIP-UHFFFAOYSA-N
XLogP2.74
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-pyrazol-4-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 113361432
N-pyrimidin-5-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 107588061
N-(3,4-dimethylphenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980493
N-(1H-indazol-6-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103981456
N-thiophen-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103982407
N-(3-fluoro-5-methylphenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103982414
N-(3,3-dimethylpiperidin-4-yl)-6-methoxypyridin-3-amine
CID 114235295
N-(3-bromophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980512
N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-6-methoxypyridin-3-amine
CID 43522838
N-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)-1,3-thiazol-2-amine
CID 103982417
N-(2-chlorophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980517
N-ethoxy-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103982717

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The IUPAC name of N-(6-methoxy-3-pyridinyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine (CID 103980315) is N-(6-methoxy-3-pyridinyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine is COc1ccc(NC2CCNCc3ccccc32)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The InChIKey is PQBFIKJYOWAJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-20-16-7-6-13(11-18-16)19-15-8-9-17-10-12-4-2-3-5-14(12)15/h2-7,11,15,17,19H,8-10H2,1H3.
What are the key properties of N-(6-methoxy-3-pyridinyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
N-(6-methoxy-3-pyridinyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine has a molecular weight of 269.35 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-pyridinyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine is sourced from PubChem (CID 103980315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).