7-chloro-N-[(2,3-difluorophenyl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine

C17H17ClF2N2 — CID 70375708

IUPAC7-chloro-N-[(2,3-difluorophenyl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine
SMILESFc1cccc(CNc2c(Cl)ccc3c2CCNCC3)c1F
InChIInChI=1S/C17H17ClF2N2/c18-14-5-4-11-6-8-21-9-7-13(11)17(14)22-10-12-2-1-3-15(19)16(12)20/h1-5,21-22H,6-10H2
InChIKeyQYWLNPQZVBFVPZ-UHFFFAOYSA-N
MW322.79 g/mol
LogP3.92
Rot. Bonds3

About 7-chloro-N-[(2,3-difluorophenyl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine

7-chloro-N-[(2,3-difluorophenyl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine (PubChem CID 70375708) has the molecular formula C17H17ClF2N2 and a molecular weight of 322.79 g/mol. Its IUPAC name is 7-chloro-N-[(2,3-difluorophenyl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine.

Molecular Properties

Compound Name7-chloro-N-[(2,3-difluorophenyl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine
PubChem CID70375708
Molecular FormulaC17H17ClF2N2
Molecular Weight322.79 g/mol
Exact Mass322.10
IUPAC Name7-chloro-N-[(2,3-difluorophenyl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine
SMILESFc1cccc(CNc2c(Cl)ccc3c2CCNCC3)c1F
InChIInChI=1S/C17H17ClF2N2/c18-14-5-4-11-6-8-21-9-7-13(11)17(14)22-10-12-2-1-3-15(19)16(12)20/h1-5,21-22H,6-10H2
InChIKeyQYWLNPQZVBFVPZ-UHFFFAOYSA-N
XLogP3.92
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[(2,3-difluorophenyl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine?
The IUPAC name of 7-chloro-N-[(2,3-difluorophenyl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine (CID 70375708) is 7-chloro-N-[(2,3-difluorophenyl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine.
What is the SMILES notation for 7-chloro-N-[(2,3-difluorophenyl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine?
The canonical SMILES for 7-chloro-N-[(2,3-difluorophenyl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine is Fc1cccc(CNc2c(Cl)ccc3c2CCNCC3)c1F.
What is the InChIKey of 7-chloro-N-[(2,3-difluorophenyl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine?
The InChIKey is QYWLNPQZVBFVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF2N2/c18-14-5-4-11-6-8-21-9-7-13(11)17(14)22-10-12-2-1-3-15(19)16(12)20/h1-5,21-22H,6-10H2.
What are the key properties of 7-chloro-N-[(2,3-difluorophenyl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine?
7-chloro-N-[(2,3-difluorophenyl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine has a molecular weight of 322.79 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[(2,3-difluorophenyl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine is sourced from PubChem (CID 70375708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).