cyclooctyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine

C17H24F3N — CID 102754830

IUPACcyclooctyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
SMILESCc1cc(C(F)(F)F)ccc1C(N)C1CCCCCCC1
InChIInChI=1S/C17H24F3N/c1-12-11-14(17(18,19)20)9-10-15(12)16(21)13-7-5-3-2-4-6-8-13/h9-11,13,16H,2-8,21H2,1H3
InChIKeyPPXBHUBVVPYALT-UHFFFAOYSA-N
MW299.38 g/mol
LogP5.37
Rot. Bonds2

About cyclooctyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine

cyclooctyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine (PubChem CID 102754830) has the molecular formula C17H24F3N and a molecular weight of 299.38 g/mol. Its IUPAC name is cyclooctyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Namecyclooctyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
PubChem CID102754830
Molecular FormulaC17H24F3N
Molecular Weight299.38 g/mol
Exact Mass299.19
IUPAC Namecyclooctyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
SMILESCc1cc(C(F)(F)F)ccc1C(N)C1CCCCCCC1
InChIInChI=1S/C17H24F3N/c1-12-11-14(17(18,19)20)9-10-15(12)16(21)13-7-5-3-2-4-6-8-13/h9-11,13,16H,2-8,21H2,1H3
InChIKeyPPXBHUBVVPYALT-UHFFFAOYSA-N
XLogP5.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.38
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cyclohexyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753522
(S)-[2,4-bis(trifluoromethyl)phenyl]-cyclohexylmethanamine
CID 171229858
(S)-[2,4-bis(trifluoromethyl)phenyl]-cyclopentylmethanamine
CID 171229856
(S)-cyclohexyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171229145
(R)-cyclopentyl-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine
CID 171209544
(R)-[2,5-bis(trifluoromethyl)phenyl]-cyclopentylmethanamine
CID 171208851
cyclopentyl-(4-fluoro-2-methylphenyl)methanamine
CID 62790372
2-[(R)-amino(cyclohexyl)methyl]-4-(trifluoromethyl)phenol;hydrochloride
CID 171258089
1-cyclohexyl-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753668
(S)-(4-chloro-2-methylphenyl)-cyclopentylmethanamine
CID 131595762
cyclobutyl-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102751758
(1R)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
CID 129373327

Frequently Asked Questions

What is the IUPAC name of cyclooctyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of cyclooctyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine (CID 102754830) is cyclooctyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for cyclooctyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for cyclooctyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine is Cc1cc(C(F)(F)F)ccc1C(N)C1CCCCCCC1.
What is the InChIKey of cyclooctyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is PPXBHUBVVPYALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N/c1-12-11-14(17(18,19)20)9-10-15(12)16(21)13-7-5-3-2-4-6-8-13/h9-11,13,16H,2-8,21H2,1H3.
What are the key properties of cyclooctyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
cyclooctyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 299.38 g/mol, XLogP of 5.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 102754830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).