cycloheptyl-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine

C15H19F4N — CID 105027734

IUPACcycloheptyl-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1ccc(F)c(C(F)(F)F)c1)C1CCCCCC1
InChIInChI=1S/C15H19F4N/c16-13-8-7-11(9-12(13)15(17,18)19)14(20)10-5-3-1-2-4-6-10/h7-10,14H,1-6,20H2
InChIKeyLZYIYVLXVJHHMM-UHFFFAOYSA-N
MW289.32 g/mol
LogP4.81
Rot. Bonds2

About cycloheptyl-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine

cycloheptyl-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine (PubChem CID 105027734) has the molecular formula C15H19F4N and a molecular weight of 289.32 g/mol. Its IUPAC name is cycloheptyl-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Namecycloheptyl-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
PubChem CID105027734
Molecular FormulaC15H19F4N
Molecular Weight289.32 g/mol
Exact Mass289.15
IUPAC Namecycloheptyl-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1ccc(F)c(C(F)(F)F)c1)C1CCCCCC1
InChIInChI=1S/C15H19F4N/c16-13-8-7-11(9-12(13)15(17,18)19)14(20)10-5-3-1-2-4-6-10/h7-10,14H,1-6,20H2
InChIKeyLZYIYVLXVJHHMM-UHFFFAOYSA-N
XLogP4.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(S)-cyclopentyl-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 171222169
(4,4-dimethylcyclohexyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107289028
(1S,2R)-2-amino-1-cyclopentyl-2-[4-fluoro-3-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 171159865
[cyclohexyl-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105282065
2-cyclopentyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine
CID 115847288
(R)-[3-chloro-4-(trifluoromethyl)phenyl]-cyclopentylmethanamine
CID 171215256
(S)-cyclohexyl-(4-fluoro-3-methylphenyl)methanamine
CID 39244944
(3-chloro-4-fluorophenyl)-cyclohexylmethanamine
CID 63093302
(R)-[4-chloro-3-(trifluoromethyl)phenyl]-cyclobutylmethanamine;hydrochloride
CID 171207653
[4-fluoro-3-(trifluoromethyl)phenyl]-(5-methyloxolan-3-yl)methanamine
CID 107291977
(1S,2R)-2-amino-1-cyclopropyl-2-[4-fluoro-3-(trifluoromethyl)phenyl]ethanol
CID 171159870
(1S)-2-cyclopropyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 171222160

Frequently Asked Questions

What is the IUPAC name of cycloheptyl-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of cycloheptyl-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine (CID 105027734) is cycloheptyl-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for cycloheptyl-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for cycloheptyl-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine is NC(c1ccc(F)c(C(F)(F)F)c1)C1CCCCCC1.
What is the InChIKey of cycloheptyl-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is LZYIYVLXVJHHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F4N/c16-13-8-7-11(9-12(13)15(17,18)19)14(20)10-5-3-1-2-4-6-10/h7-10,14H,1-6,20H2.
What are the key properties of cycloheptyl-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine?
cycloheptyl-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 289.32 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 105027734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).