cyclohepten-1-yl-(3,5-difluorophenyl)methanamine

C14H17F2N — CID 62080192

IUPACcyclohepten-1-yl-(3,5-difluorophenyl)methanamine
SMILESNC(C1=CCCCCC1)c1cc(F)cc(F)c1
InChIInChI=1S/C14H17F2N/c15-12-7-11(8-13(16)9-12)14(17)10-5-3-1-2-4-6-10/h5,7-9,14H,1-4,6,17H2
InChIKeyIWQLUAWLXQYYKQ-UHFFFAOYSA-N
MW237.29 g/mol
LogP3.86
Rot. Bonds2

About cyclohepten-1-yl-(3,5-difluorophenyl)methanamine

cyclohepten-1-yl-(3,5-difluorophenyl)methanamine (PubChem CID 62080192) has the molecular formula C14H17F2N and a molecular weight of 237.29 g/mol. Its IUPAC name is cyclohepten-1-yl-(3,5-difluorophenyl)methanamine.

Molecular Properties

Compound Namecyclohepten-1-yl-(3,5-difluorophenyl)methanamine
PubChem CID62080192
Molecular FormulaC14H17F2N
Molecular Weight237.29 g/mol
Exact Mass237.13
IUPAC Namecyclohepten-1-yl-(3,5-difluorophenyl)methanamine
SMILESNC(C1=CCCCCC1)c1cc(F)cc(F)c1
InChIInChI=1S/C14H17F2N/c15-12-7-11(8-13(16)9-12)14(17)10-5-3-1-2-4-6-10/h5,7-9,14H,1-4,6,17H2
InChIKeyIWQLUAWLXQYYKQ-UHFFFAOYSA-N
XLogP3.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

cyclohexen-1-yl-(3,5-dimethylphenyl)methanamine
CID 62078316
cyclohepten-1-yl-(2,5-difluorophenyl)methanamine
CID 106652966
[(1E)-cycloocten-1-yl]-(4-methylphenyl)methanamine
CID 106652452
cyclohexen-1-yl-(5-fluoro-2-methylphenyl)methanamine
CID 63047741
cyclohexen-1-yl(pyrimidin-5-yl)methanamine
CID 106657338
(4-chloro-2-fluorophenyl)-(cyclohepten-1-yl)methanamine
CID 55034229
[(1E)-cycloocten-1-yl]-(4-ethylphenyl)methanamine
CID 106652462
[(1E)-cycloocten-1-yl]-(2-fluorophenyl)methanamine
CID 106652892
(4-chloro-3-methylphenyl)-[(1E)-cycloocten-1-yl]methanamine
CID 106656508
[1-(cyclohepten-1-yl)-2-(3,5-difluorophenyl)ethyl]hydrazine
CID 106648713
(5-bromo-2-fluorophenyl)-[(1E)-cycloocten-1-yl]methanamine
CID 106654768
[1-[(1E)-cycloocten-1-yl]-2-(3,5-difluorophenyl)ethyl]hydrazine
CID 106648712

Frequently Asked Questions

What is the IUPAC name of cyclohepten-1-yl-(3,5-difluorophenyl)methanamine?
The IUPAC name of cyclohepten-1-yl-(3,5-difluorophenyl)methanamine (CID 62080192) is cyclohepten-1-yl-(3,5-difluorophenyl)methanamine.
What is the SMILES notation for cyclohepten-1-yl-(3,5-difluorophenyl)methanamine?
The canonical SMILES for cyclohepten-1-yl-(3,5-difluorophenyl)methanamine is NC(C1=CCCCCC1)c1cc(F)cc(F)c1.
What is the InChIKey of cyclohepten-1-yl-(3,5-difluorophenyl)methanamine?
The InChIKey is IWQLUAWLXQYYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N/c15-12-7-11(8-13(16)9-12)14(17)10-5-3-1-2-4-6-10/h5,7-9,14H,1-4,6,17H2.
What are the key properties of cyclohepten-1-yl-(3,5-difluorophenyl)methanamine?
cyclohepten-1-yl-(3,5-difluorophenyl)methanamine has a molecular weight of 237.29 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepten-1-yl-(3,5-difluorophenyl)methanamine is sourced from PubChem (CID 62080192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).