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

C15H20F3N — CID 102753522

IUPACcyclohexyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
SMILESCc1cc(C(F)(F)F)ccc1C(N)C1CCCCC1
InChIInChI=1S/C15H20F3N/c1-10-9-12(15(16,17)18)7-8-13(10)14(19)11-5-3-2-4-6-11/h7-9,11,14H,2-6,19H2,1H3
InChIKeyVTGXDUVRZAJNBH-UHFFFAOYSA-N
MW271.33 g/mol
LogP4.59
Rot. Bonds2

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

cyclohexyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine (PubChem CID 102753522) has the molecular formula C15H20F3N and a molecular weight of 271.33 g/mol. Its IUPAC name is cyclohexyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Namecyclohexyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
PubChem CID102753522
Molecular FormulaC15H20F3N
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC Namecyclohexyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
SMILESCc1cc(C(F)(F)F)ccc1C(N)C1CCCCC1
InChIInChI=1S/C15H20F3N/c1-10-9-12(15(16,17)18)7-8-13(10)14(19)11-5-3-2-4-6-11/h7-9,11,14H,2-6,19H2,1H3
InChIKeyVTGXDUVRZAJNBH-UHFFFAOYSA-N
XLogP4.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cyclooctyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102754830
(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 cyclohexyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of cyclohexyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine (CID 102753522) is cyclohexyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for cyclohexyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for cyclohexyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine is Cc1cc(C(F)(F)F)ccc1C(N)C1CCCCC1.
What is the InChIKey of cyclohexyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is VTGXDUVRZAJNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N/c1-10-9-12(15(16,17)18)7-8-13(10)14(19)11-5-3-2-4-6-11/h7-9,11,14H,2-6,19H2,1H3.
What are the key properties of cyclohexyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
cyclohexyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 271.33 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 102753522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).