N-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine

C15H18Cl2F3N — CID 43747470

IUPACN-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(NC1CCCC(C(F)(F)F)C1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H18Cl2F3N/c1-9(13-6-5-11(16)8-14(13)17)21-12-4-2-3-10(7-12)15(18,19)20/h5-6,8-10,12,21H,2-4,7H2,1H3
InChIKeyHBAXQPRQDAJVOQ-UHFFFAOYSA-N
MW340.22 g/mol
LogP5.77
Rot. Bonds3

About N-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine

N-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 43747470) has the molecular formula C15H18Cl2F3N and a molecular weight of 340.22 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID43747470
Molecular FormulaC15H18Cl2F3N
Molecular Weight340.22 g/mol
Exact Mass339.08
IUPAC NameN-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(NC1CCCC(C(F)(F)F)C1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H18Cl2F3N/c1-9(13-6-5-11(16)8-14(13)17)21-12-4-2-3-10(7-12)15(18,19)20/h5-6,8-10,12,21H,2-4,7H2,1H3
InChIKeyHBAXQPRQDAJVOQ-UHFFFAOYSA-N
XLogP5.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.22
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2,4-dichlorophenyl)ethyl]cyclooctanamine
CID 43078996
N-[1-(2,4-dichlorophenyl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107427902
4-tert-butyl-N-[1-(2,4-dichlorophenyl)ethyl]cyclohexan-1-amine
CID 60663519
N-[(1S)-1-pyridin-4-ylethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 81405721
N-[1-(2,5-dichlorophenyl)ethyl]-3-methylcyclohexan-1-amine
CID 43317718
3-[1-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]phenol
CID 43747474
N-[1-(2,4-dichlorophenyl)ethyl]-2-methylcyclopropan-1-amine
CID 62397096
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 65197463
3-[1-(4-bromo-2-chlorophenyl)ethylamino]cyclohexan-1-ol
CID 82774818
N-[1-(4-chlorophenyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43730387
4-tert-butyl-N-[1-(2-chlorophenyl)ethyl]cycloheptan-1-amine
CID 65089807
N-[1-(2,4-dichlorophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 43761470

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine (CID 43747470) is N-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine is CC(NC1CCCC(C(F)(F)F)C1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is HBAXQPRQDAJVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2F3N/c1-9(13-6-5-11(16)8-14(13)17)21-12-4-2-3-10(7-12)15(18,19)20/h5-6,8-10,12,21H,2-4,7H2,1H3.
What are the key properties of N-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine?
N-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 340.22 g/mol, XLogP of 5.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 43747470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).