cyclohepten-1-yl-(2,5-difluorophenyl)methanamine

C14H17F2N — CID 106652966

IUPACcyclohepten-1-yl-(2,5-difluorophenyl)methanamine
SMILESNC(C1=CCCCCC1)c1cc(F)ccc1F
InChIInChI=1S/C14H17F2N/c15-11-7-8-13(16)12(9-11)14(17)10-5-3-1-2-4-6-10/h5,7-9,14H,1-4,6,17H2
InChIKeyJHSOWLVFESUJOA-UHFFFAOYSA-N
MW237.29 g/mol
LogP3.86
Rot. Bonds2

About cyclohepten-1-yl-(2,5-difluorophenyl)methanamine

cyclohepten-1-yl-(2,5-difluorophenyl)methanamine (PubChem CID 106652966) has the molecular formula C14H17F2N and a molecular weight of 237.29 g/mol. Its IUPAC name is cyclohepten-1-yl-(2,5-difluorophenyl)methanamine.

Molecular Properties

Compound Namecyclohepten-1-yl-(2,5-difluorophenyl)methanamine
PubChem CID106652966
Molecular FormulaC14H17F2N
Molecular Weight237.29 g/mol
Exact Mass237.13
IUPAC Namecyclohepten-1-yl-(2,5-difluorophenyl)methanamine
SMILESNC(C1=CCCCCC1)c1cc(F)ccc1F
InChIInChI=1S/C14H17F2N/c15-11-7-8-13(16)12(9-11)14(17)10-5-3-1-2-4-6-10/h5,7-9,14H,1-4,6,17H2
InChIKeyJHSOWLVFESUJOA-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

(5-bromo-2-fluorophenyl)-[(1E)-cycloocten-1-yl]methanamine
CID 106654768
cyclohexen-1-yl-(5-fluoro-2-methylphenyl)methanamine
CID 63047741
[(1E)-cycloocten-1-yl]-(2-fluorophenyl)methanamine
CID 106652892
(4-chloro-2-fluorophenyl)-(cyclohepten-1-yl)methanamine
CID 55034229
cyclohepten-1-yl-(3,5-difluorophenyl)methanamine
CID 62080192
(5-chloro-2-methoxyphenyl)-[(1E)-cycloocten-1-yl]methanamine
CID 106656196
cyclopenten-1-yl-(2,3-difluorophenyl)methanamine
CID 62650882
[(5-chloro-2-fluorophenyl)-(cyclohepten-1-yl)methyl]hydrazine
CID 106649679
2-(2-chloro-4-fluorophenyl)-1-[(1E)-cycloocten-1-yl]ethanamine
CID 106652878
[(1E)-cycloocten-1-yl]-(4-fluoro-2-methylphenyl)methanol
CID 106651066
(4-bromo-2-methylphenyl)-[(1E)-cycloocten-1-yl]methanamine
CID 106654796
(2-bromofuran-3-yl)-[(1E)-cycloocten-1-yl]methanamine
CID 106859008

Frequently Asked Questions

What is the IUPAC name of cyclohepten-1-yl-(2,5-difluorophenyl)methanamine?
The IUPAC name of cyclohepten-1-yl-(2,5-difluorophenyl)methanamine (CID 106652966) is cyclohepten-1-yl-(2,5-difluorophenyl)methanamine.
What is the SMILES notation for cyclohepten-1-yl-(2,5-difluorophenyl)methanamine?
The canonical SMILES for cyclohepten-1-yl-(2,5-difluorophenyl)methanamine is NC(C1=CCCCCC1)c1cc(F)ccc1F.
What is the InChIKey of cyclohepten-1-yl-(2,5-difluorophenyl)methanamine?
The InChIKey is JHSOWLVFESUJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N/c15-11-7-8-13(16)12(9-11)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-(2,5-difluorophenyl)methanamine?
cyclohepten-1-yl-(2,5-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-(2,5-difluorophenyl)methanamine is sourced from PubChem (CID 106652966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).