1-[3-fluoro-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyridinyl]-N-methylmethanamine

C17H20FN3 — CID 105390008

IUPAC1-[3-fluoro-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccnc(N2CCc3ccccc3CC2)c1F
InChIInChI=1S/C17H20FN3/c1-19-12-15-6-9-20-17(16(15)18)21-10-7-13-4-2-3-5-14(13)8-11-21/h2-6,9,19H,7-8,10-12H2,1H3
InChIKeyCQOYYERPUYSXLX-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.55
Rot. Bonds3

About 1-[3-fluoro-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyridinyl]-N-methylmethanamine

1-[3-fluoro-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyridinyl]-N-methylmethanamine (PubChem CID 105390008) has the molecular formula C17H20FN3 and a molecular weight of 285.37 g/mol. Its IUPAC name is 1-[3-fluoro-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-fluoro-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyridinyl]-N-methylmethanamine
PubChem CID105390008
Molecular FormulaC17H20FN3
Molecular Weight285.37 g/mol
Exact Mass285.16
IUPAC Name1-[3-fluoro-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccnc(N2CCc3ccccc3CC2)c1F
InChIInChI=1S/C17H20FN3/c1-19-12-15-6-9-20-17(16(15)18)21-10-7-13-4-2-3-5-14(13)8-11-21/h2-6,9,19H,7-8,10-12H2,1H3
InChIKeyCQOYYERPUYSXLX-UHFFFAOYSA-N
XLogP2.55
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[3-fluoro-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyridinyl]-N-methylmethanamine (CID 105390008) is 1-[3-fluoro-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-fluoro-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-fluoro-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyridinyl]-N-methylmethanamine is CNCc1ccnc(N2CCc3ccccc3CC2)c1F.
What is the InChIKey of 1-[3-fluoro-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyridinyl]-N-methylmethanamine?
The InChIKey is CQOYYERPUYSXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3/c1-19-12-15-6-9-20-17(16(15)18)21-10-7-13-4-2-3-5-14(13)8-11-21/h2-6,9,19H,7-8,10-12H2,1H3.
What are the key properties of 1-[3-fluoro-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyridinyl]-N-methylmethanamine?
1-[3-fluoro-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyridinyl]-N-methylmethanamine has a molecular weight of 285.37 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 105390008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).