N-[2-[4-(trifluoromethoxy)phenyl]ethyl]cyclohexanamine

C15H20F3NO — CID 126728159

IUPACN-[2-[4-(trifluoromethoxy)phenyl]ethyl]cyclohexanamine
SMILESFC(F)(F)Oc1ccc(CCNC2CCCCC2)cc1
InChIInChI=1S/C15H20F3NO/c16-15(17,18)20-14-8-6-12(7-9-14)10-11-19-13-4-2-1-3-5-13/h6-9,13,19H,1-5,10-11H2
InChIKeyPCIPUBSRPWTMFM-UHFFFAOYSA-N
MW287.32 g/mol
LogP4.05
Rot. Bonds5

About N-[2-[4-(trifluoromethoxy)phenyl]ethyl]cyclohexanamine

N-[2-[4-(trifluoromethoxy)phenyl]ethyl]cyclohexanamine (PubChem CID 126728159) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[2-[4-(trifluoromethoxy)phenyl]ethyl]cyclohexanamine.

Molecular Properties

Compound NameN-[2-[4-(trifluoromethoxy)phenyl]ethyl]cyclohexanamine
PubChem CID126728159
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC NameN-[2-[4-(trifluoromethoxy)phenyl]ethyl]cyclohexanamine
SMILESFC(F)(F)Oc1ccc(CCNC2CCCCC2)cc1
InChIInChI=1S/C15H20F3NO/c16-15(17,18)20-14-8-6-12(7-9-14)10-11-19-13-4-2-1-3-5-13/h6-9,13,19H,1-5,10-11H2
InChIKeyPCIPUBSRPWTMFM-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]cyclohexanamine;hydrochloride
CID 23106150
1-(cyclopentylamino)-3-[4-(trifluoromethoxy)phenyl]propan-2-one
CID 116558957
4-[2-(cyclooctylamino)ethyl]phenol
CID 61238875
2-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine
CID 43329124
N-[2-[4-(trifluoromethyl)phenyl]ethyl]cyclopropanamine
CID 62114541
N-[4-[2-(cyclohexylamino)ethylamino]butyl]-4-(trifluoromethoxy)benzenesulfonamide;dihydrochloride
CID 139937507
N-cyclohexyl-4-(trifluoromethoxy)benzamide
CID 53243010
N-[2-(4-methylsulfanylphenyl)ethyl]cyclopentanamine
CID 96661182
2-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine
CID 104703817
N-[2-(3,4-dimethylphenyl)ethyl]cyclohexanamine
CID 62551613
4-[2-(cyclohexylamino)ethyl]benzenesulfonamide
CID 54995569
N-[2-methyl-3-[4-(trifluoromethoxy)phenyl]propyl]cyclopropanamine
CID 55083756

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(trifluoromethoxy)phenyl]ethyl]cyclohexanamine?
The IUPAC name of N-[2-[4-(trifluoromethoxy)phenyl]ethyl]cyclohexanamine (CID 126728159) is N-[2-[4-(trifluoromethoxy)phenyl]ethyl]cyclohexanamine.
What is the SMILES notation for N-[2-[4-(trifluoromethoxy)phenyl]ethyl]cyclohexanamine?
The canonical SMILES for N-[2-[4-(trifluoromethoxy)phenyl]ethyl]cyclohexanamine is FC(F)(F)Oc1ccc(CCNC2CCCCC2)cc1.
What is the InChIKey of N-[2-[4-(trifluoromethoxy)phenyl]ethyl]cyclohexanamine?
The InChIKey is PCIPUBSRPWTMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c16-15(17,18)20-14-8-6-12(7-9-14)10-11-19-13-4-2-1-3-5-13/h6-9,13,19H,1-5,10-11H2.
What are the key properties of N-[2-[4-(trifluoromethoxy)phenyl]ethyl]cyclohexanamine?
N-[2-[4-(trifluoromethoxy)phenyl]ethyl]cyclohexanamine has a molecular weight of 287.32 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(trifluoromethoxy)phenyl]ethyl]cyclohexanamine is sourced from PubChem (CID 126728159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).