cyclohexyl-(2,4-difluoro-5-methylphenyl)methanamine

C14H19F2N — CID 79724300

IUPACcyclohexyl-(2,4-difluoro-5-methylphenyl)methanamine
SMILESCc1cc(C(N)C2CCCCC2)c(F)cc1F
InChIInChI=1S/C14H19F2N/c1-9-7-11(13(16)8-12(9)15)14(17)10-5-3-2-4-6-10/h7-8,10,14H,2-6,17H2,1H3
InChIKeyTVGVLHQGALZFQW-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.85
Rot. Bonds2

About cyclohexyl-(2,4-difluoro-5-methylphenyl)methanamine

cyclohexyl-(2,4-difluoro-5-methylphenyl)methanamine (PubChem CID 79724300) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is cyclohexyl-(2,4-difluoro-5-methylphenyl)methanamine.

Molecular Properties

Compound Namecyclohexyl-(2,4-difluoro-5-methylphenyl)methanamine
PubChem CID79724300
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Namecyclohexyl-(2,4-difluoro-5-methylphenyl)methanamine
SMILESCc1cc(C(N)C2CCCCC2)c(F)cc1F
InChIInChI=1S/C14H19F2N/c1-9-7-11(13(16)8-12(9)15)14(17)10-5-3-2-4-6-10/h7-8,10,14H,2-6,17H2,1H3
InChIKeyTVGVLHQGALZFQW-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cyclohexyl-(2-fluoro-4-methylphenyl)methanamine
CID 114981199
(R)-(5-chloro-2-fluorophenyl)-cyclohexylmethanamine;hydrochloride
CID 171202097
(S)-(2-bromo-4-fluoro-5-methylphenyl)-cyclopropylmethanamine
CID 131080956
(S)-cyclopentyl-(2-fluoro-5-iodophenyl)methanamine
CID 131551788
cyclobutyl-(2-fluoro-5-methylphenyl)methanamine
CID 64986676
(S)-cyclopentyl-(2-fluoro-4-methylphenyl)methanamine
CID 131545963
(R)-cyclohexyl-(2-fluoro-4,5-dimethoxyphenyl)methanamine;hydrochloride
CID 171213992
(S)-cyclohexyl-(2-fluoro-4,5-dimethoxyphenyl)methanamine;hydrochloride
CID 171233620
(S)-cyclopentyl-(2-fluoro-4-methylphenyl)methanamine;hydrochloride
CID 171221506
(5-bromo-2-fluorophenyl)-cyclohexylmethanamine
CID 79742739
(S)-cyclohexyl-(4-fluoro-3-methylphenyl)methanamine
CID 39244944
(R)-(5-bromo-2-fluorophenyl)-cyclohexylmethanamine
CID 171200620

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(2,4-difluoro-5-methylphenyl)methanamine?
The IUPAC name of cyclohexyl-(2,4-difluoro-5-methylphenyl)methanamine (CID 79724300) is cyclohexyl-(2,4-difluoro-5-methylphenyl)methanamine.
What is the SMILES notation for cyclohexyl-(2,4-difluoro-5-methylphenyl)methanamine?
The canonical SMILES for cyclohexyl-(2,4-difluoro-5-methylphenyl)methanamine is Cc1cc(C(N)C2CCCCC2)c(F)cc1F.
What is the InChIKey of cyclohexyl-(2,4-difluoro-5-methylphenyl)methanamine?
The InChIKey is TVGVLHQGALZFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c1-9-7-11(13(16)8-12(9)15)14(17)10-5-3-2-4-6-10/h7-8,10,14H,2-6,17H2,1H3.
What are the key properties of cyclohexyl-(2,4-difluoro-5-methylphenyl)methanamine?
cyclohexyl-(2,4-difluoro-5-methylphenyl)methanamine has a molecular weight of 239.31 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(2,4-difluoro-5-methylphenyl)methanamine is sourced from PubChem (CID 79724300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).