N-[1-(4-bromophenyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine

C15H19BrF3N — CID 43730386

IUPACN-[1-(4-bromophenyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(NC1CCC(C(F)(F)F)CC1)c1ccc(Br)cc1
InChIInChI=1S/C15H19BrF3N/c1-10(11-2-6-13(16)7-3-11)20-14-8-4-12(5-9-14)15(17,18)19/h2-3,6-7,10,12,14,20H,4-5,8-9H2,1H3
InChIKeyNLLHRHYXIOWICD-UHFFFAOYSA-N
MW350.22 g/mol
LogP5.22
Rot. Bonds3

About N-[1-(4-bromophenyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine

N-[1-(4-bromophenyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 43730386) has the molecular formula C15H19BrF3N and a molecular weight of 350.22 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID43730386
Molecular FormulaC15H19BrF3N
Molecular Weight350.22 g/mol
Exact Mass349.07
IUPAC NameN-[1-(4-bromophenyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(NC1CCC(C(F)(F)F)CC1)c1ccc(Br)cc1
InChIInChI=1S/C15H19BrF3N/c1-10(11-2-6-13(16)7-3-11)20-14-8-4-12(5-9-14)15(17,18)19/h2-3,6-7,10,12,14,20H,4-5,8-9H2,1H3
InChIKeyNLLHRHYXIOWICD-UHFFFAOYSA-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-[(1R)-1-(4-bromophenyl)ethyl]cyclopropanamine
CID 30110346
N-[1-(4-chlorophenyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43730387
N-[(1S)-1-phenylethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 81350691
N-[(1S)-1-(4-bromophenyl)ethyl]-4-tert-butylcycloheptan-1-amine
CID 81356835
N-[1-(4-bromophenyl)ethyl]-4-methylcyclohexan-1-amine
CID 43080674
N-[1-(5-bromothiophen-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 54898262
N-[(1S)-1-(4-bromophenyl)ethyl]oxan-4-amine
CID 81354361
N-[(1S)-1-(4-bromophenyl)ethyl]thian-4-amine
CID 81359779
N-[1-(4-bromothiophen-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 107167232
N-[1-(3-bromothiophen-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43788030
N-[(1R)-1-(4-bromophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 81353587
4-tert-butyl-N-[(1S)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine
CID 81355631

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine (CID 43730386) is N-[1-(4-bromophenyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine is CC(NC1CCC(C(F)(F)F)CC1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is NLLHRHYXIOWICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrF3N/c1-10(11-2-6-13(16)7-3-11)20-14-8-4-12(5-9-14)15(17,18)19/h2-3,6-7,10,12,14,20H,4-5,8-9H2,1H3.
What are the key properties of N-[1-(4-bromophenyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
N-[1-(4-bromophenyl)ethyl]-4-(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-[1-(4-bromophenyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 43730386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).