cycloheptyl-(2,6-difluorophenyl)methanamine

C14H19F2N — CID 65399556

IUPACcycloheptyl-(2,6-difluorophenyl)methanamine
SMILESNC(c1c(F)cccc1F)C1CCCCCC1
InChIInChI=1S/C14H19F2N/c15-11-8-5-9-12(16)13(11)14(17)10-6-3-1-2-4-7-10/h5,8-10,14H,1-4,6-7,17H2
InChIKeyVCPFDAANCJAXDO-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.93
Rot. Bonds2

About cycloheptyl-(2,6-difluorophenyl)methanamine

cycloheptyl-(2,6-difluorophenyl)methanamine (PubChem CID 65399556) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is cycloheptyl-(2,6-difluorophenyl)methanamine.

Molecular Properties

Compound Namecycloheptyl-(2,6-difluorophenyl)methanamine
PubChem CID65399556
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Namecycloheptyl-(2,6-difluorophenyl)methanamine
SMILESNC(c1c(F)cccc1F)C1CCCCCC1
InChIInChI=1S/C14H19F2N/c15-11-8-5-9-12(16)13(11)14(17)10-6-3-1-2-4-7-10/h5,8-10,14H,1-4,6-7,17H2
InChIKeyVCPFDAANCJAXDO-UHFFFAOYSA-N
XLogP3.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-cyclohexyl-(2,6-difluorophenyl)methanamine;hydrochloride
CID 171204110
(S)-cyclohexyl-(2,4,6-trifluorophenyl)methanamine
CID 28501633
(2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105149474
(S)-cyclohexyl-(2,3,5,6-tetrafluorophenyl)methanamine
CID 171230086
(R)-(4-bromo-2,6-difluorophenyl)-cyclohexylmethanamine;hydrochloride
CID 171206717
(2,6-difluorophenyl)-(3-ethylcyclohexyl)methanamine
CID 65412911
(S)-(4-chloro-2,6-difluorophenyl)-cyclopentylmethanamine
CID 131484031
(2-bromo-3-fluorophenyl)-cyclopentylmethanamine
CID 112631047
(R)-(2-bromo-3-fluorophenyl)-cyclopentylmethanamine
CID 131483839
(R)-cyclopentyl-(2,6-dichlorophenyl)methanamine
CID 171197935
cyclopropyl-(2-fluoro-6-methoxyphenyl)methanamine
CID 55269614
(2,6-difluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 112681101

Frequently Asked Questions

What is the IUPAC name of cycloheptyl-(2,6-difluorophenyl)methanamine?
The IUPAC name of cycloheptyl-(2,6-difluorophenyl)methanamine (CID 65399556) is cycloheptyl-(2,6-difluorophenyl)methanamine.
What is the SMILES notation for cycloheptyl-(2,6-difluorophenyl)methanamine?
The canonical SMILES for cycloheptyl-(2,6-difluorophenyl)methanamine is NC(c1c(F)cccc1F)C1CCCCCC1.
What is the InChIKey of cycloheptyl-(2,6-difluorophenyl)methanamine?
The InChIKey is VCPFDAANCJAXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c15-11-8-5-9-12(16)13(11)14(17)10-6-3-1-2-4-7-10/h5,8-10,14H,1-4,6-7,17H2.
What are the key properties of cycloheptyl-(2,6-difluorophenyl)methanamine?
cycloheptyl-(2,6-difluorophenyl)methanamine has a molecular weight of 239.31 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl-(2,6-difluorophenyl)methanamine is sourced from PubChem (CID 65399556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).