1-cycloheptyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-N-methylmethanamine

C16H21F4N — CID 82932850

IUPAC1-cycloheptyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-N-methylmethanamine
SMILESCNC(c1cc(F)ccc1C(F)(F)F)C1CCCCCC1
InChIInChI=1S/C16H21F4N/c1-21-15(11-6-4-2-3-5-7-11)13-10-12(17)8-9-14(13)16(18,19)20/h8-11,15,21H,2-7H2,1H3
InChIKeyZTYUSLZTWLMZJL-UHFFFAOYSA-N
MW303.34 g/mol
LogP5.08
Rot. Bonds3

About 1-cycloheptyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-N-methylmethanamine

1-cycloheptyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-N-methylmethanamine (PubChem CID 82932850) has the molecular formula C16H21F4N and a molecular weight of 303.34 g/mol. Its IUPAC name is 1-cycloheptyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-cycloheptyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-N-methylmethanamine
PubChem CID82932850
Molecular FormulaC16H21F4N
Molecular Weight303.34 g/mol
Exact Mass303.16
IUPAC Name1-cycloheptyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-N-methylmethanamine
SMILESCNC(c1cc(F)ccc1C(F)(F)F)C1CCCCCC1
InChIInChI=1S/C16H21F4N/c1-21-15(11-6-4-2-3-5-7-11)13-10-12(17)8-9-14(13)16(18,19)20/h8-11,15,21H,2-7H2,1H3
InChIKeyZTYUSLZTWLMZJL-UHFFFAOYSA-N
XLogP5.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.34
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[cyclobutyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105257667
1-(2-bromo-4-fluorophenyl)-1-cycloheptyl-N-methylmethanamine
CID 105027896
1-[4-bromo-2-(trifluoromethyl)phenyl]-1-cycloheptyl-N-methylmethanamine
CID 82932687
(S)-cyclobutyl-[5-fluoro-2-(trifluoromethyl)phenyl]methanamine
CID 171228691
1-cyclohexyl-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753668
1-(5-chloro-2-fluorophenyl)-1-cycloheptyl-N-methylmethanamine
CID 114886204
1-(5-fluoro-2-methylphenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 63935282
1-(2-chloro-5-fluorophenyl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 105397310
1-[(R)-cyclohexyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171171421
1-[(S)-cyclohexyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171166052
1-(2-chloro-5-fluorophenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 105394836
4-[(2,5-difluorophenyl)-(methylamino)methyl]cyclohexan-1-ol
CID 116957012

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-cycloheptyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-N-methylmethanamine (CID 82932850) is 1-cycloheptyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-cycloheptyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-cycloheptyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-N-methylmethanamine is CNC(c1cc(F)ccc1C(F)(F)F)C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-N-methylmethanamine?
The InChIKey is ZTYUSLZTWLMZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F4N/c1-21-15(11-6-4-2-3-5-7-11)13-10-12(17)8-9-14(13)16(18,19)20/h8-11,15,21H,2-7H2,1H3.
What are the key properties of 1-cycloheptyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-N-methylmethanamine?
1-cycloheptyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-N-methylmethanamine has a molecular weight of 303.34 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 82932850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).