N-[(1S)-1-(2-bromophenyl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine

C15H19BrF3N — CID 81382952

IUPACN-[(1S)-1-(2-bromophenyl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
SMILESC[C@H](NC1CCCCC1C(F)(F)F)c1ccccc1Br
InChIInChI=1S/C15H19BrF3N/c1-10(11-6-2-4-8-13(11)16)20-14-9-5-3-7-12(14)15(17,18)19/h2,4,6,8,10,12,14,20H,3,5,7,9H2,1H3/t10-,12?,14?/m0/s1
InChIKeyCKTNPWUHUMYIDN-JKDOVBDQSA-N
MW350.22 g/mol
LogP5.22
Rot. Bonds3

About N-[(1S)-1-(2-bromophenyl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine

N-[(1S)-1-(2-bromophenyl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 81382952) has the molecular formula C15H19BrF3N and a molecular weight of 350.22 g/mol. Its IUPAC name is N-[(1S)-1-(2-bromophenyl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-(2-bromophenyl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
PubChem CID81382952
Molecular FormulaC15H19BrF3N
Molecular Weight350.22 g/mol
Exact Mass349.07
IUPAC NameN-[(1S)-1-(2-bromophenyl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
SMILESC[C@H](NC1CCCCC1C(F)(F)F)c1ccccc1Br
InChIInChI=1S/C15H19BrF3N/c1-10(11-6-2-4-8-13(11)16)20-14-9-5-3-7-12(14)15(17,18)19/h2,4,6,8,10,12,14,20H,3,5,7,9H2,1H3/t10-,12?,14?/m0/s1
InChIKeyCKTNPWUHUMYIDN-JKDOVBDQSA-N
XLogP5.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.22
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S)-1-(2-bromophenyl)ethyl]-2-tert-butylcyclohexan-1-amine
CID 81383486
2-[1-(2-bromophenyl)ethylamino]cyclohexan-1-ol
CID 60714831
N-[(1R)-1-(2-bromophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 81378180
[2-[1-(2-bromophenyl)ethylamino]cyclohexyl]methanol
CID 113261895
N-[(1S)-1-(2-bromophenyl)ethyl]cycloheptanamine
CID 29266972
N-[(1S)-1-(2-bromophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine
CID 81383170
N-[1-(2-bromophenyl)ethyl]-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 79536151
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 81346875
N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclohexylethanamine
CID 81383884
N-[(1R)-1-(2-bromophenyl)ethyl]-1-cyclohexylethanamine
CID 81383230
(1S)-N-[1-(2-bromophenyl)ethyl]-1-cycloheptylethanamine
CID 81389871
N-[(1S)-1-(2-bromophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 81378144

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-bromophenyl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[(1S)-1-(2-bromophenyl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine (CID 81382952) is N-[(1S)-1-(2-bromophenyl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[(1S)-1-(2-bromophenyl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[(1S)-1-(2-bromophenyl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine is C[C@H](NC1CCCCC1C(F)(F)F)c1ccccc1Br.
What is the InChIKey of N-[(1S)-1-(2-bromophenyl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is CKTNPWUHUMYIDN-JKDOVBDQSA-N. The full InChI is InChI=1S/C15H19BrF3N/c1-10(11-6-2-4-8-13(11)16)20-14-9-5-3-7-12(14)15(17,18)19/h2,4,6,8,10,12,14,20H,3,5,7,9H2,1H3/t10-,12?,14?/m0/s1.
What are the key properties of N-[(1S)-1-(2-bromophenyl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine?
N-[(1S)-1-(2-bromophenyl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 350.22 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-bromophenyl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 81382952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).