1,3-difluoro-N,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

C13H17F2N — CID 62943341

IUPAC1,3-difluoro-N,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCNC1CC(C)CCc2c(F)cc(F)cc21
InChIInChI=1S/C13H17F2N/c1-8-3-4-10-11(13(5-8)16-2)6-9(14)7-12(10)15/h6-8,13,16H,3-5H2,1-2H3
InChIKeyIYSWLROSXMJUNN-UHFFFAOYSA-N
MW225.28 g/mol
LogP3.20
Rot. Bonds1

About 1,3-difluoro-N,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

1,3-difluoro-N,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (PubChem CID 62943341) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is 1,3-difluoro-N,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.

Molecular Properties

Compound Name1,3-difluoro-N,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
PubChem CID62943341
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name1,3-difluoro-N,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCNC1CC(C)CCc2c(F)cc(F)cc21
InChIInChI=1S/C13H17F2N/c1-8-3-4-10-11(13(5-8)16-2)6-9(14)7-12(10)15/h6-8,13,16H,3-5H2,1-2H3
InChIKeyIYSWLROSXMJUNN-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,3-difluoro-N,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-N,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The IUPAC name of 1,3-difluoro-N,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (CID 62943341) is 1,3-difluoro-N,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.
What is the SMILES notation for 1,3-difluoro-N,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The canonical SMILES for 1,3-difluoro-N,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is CNC1CC(C)CCc2c(F)cc(F)cc21.
What is the InChIKey of 1,3-difluoro-N,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The InChIKey is IYSWLROSXMJUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c1-8-3-4-10-11(13(5-8)16-2)6-9(14)7-12(10)15/h6-8,13,16H,3-5H2,1-2H3.
What are the key properties of 1,3-difluoro-N,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
1,3-difluoro-N,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine has a molecular weight of 225.28 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-N,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is sourced from PubChem (CID 62943341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).