N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]cyclohexanamine

C14H17ClF3N — CID 11951936

IUPACN-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]cyclohexanamine
SMILESFC(F)(F)c1ccc(Cl)c(CNC2CCCCC2)c1
InChIInChI=1S/C14H17ClF3N/c15-13-7-6-11(14(16,17)18)8-10(13)9-19-12-4-2-1-3-5-12/h6-8,12,19H,1-5,9H2
InChIKeyIZHFAQXXJQUWOS-UHFFFAOYSA-N
MW291.74 g/mol
LogP4.78
Rot. Bonds3

About N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]cyclohexanamine

N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]cyclohexanamine (PubChem CID 11951936) has the molecular formula C14H17ClF3N and a molecular weight of 291.74 g/mol. Its IUPAC name is N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]cyclohexanamine
PubChem CID11951936
Molecular FormulaC14H17ClF3N
Molecular Weight291.74 g/mol
Exact Mass291.10
IUPAC NameN-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]cyclohexanamine
SMILESFC(F)(F)c1ccc(Cl)c(CNC2CCCCC2)c1
InChIInChI=1S/C14H17ClF3N/c15-13-7-6-11(14(16,17)18)8-10(13)9-19-12-4-2-1-3-5-12/h6-8,12,19H,1-5,9H2
InChIKeyIZHFAQXXJQUWOS-UHFFFAOYSA-N
XLogP4.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]cyclohexanamine?
The IUPAC name of N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]cyclohexanamine (CID 11951936) is N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]cyclohexanamine.
What is the SMILES notation for N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]cyclohexanamine?
The canonical SMILES for N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]cyclohexanamine is FC(F)(F)c1ccc(Cl)c(CNC2CCCCC2)c1.
What is the InChIKey of N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]cyclohexanamine?
The InChIKey is IZHFAQXXJQUWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF3N/c15-13-7-6-11(14(16,17)18)8-10(13)9-19-12-4-2-1-3-5-12/h6-8,12,19H,1-5,9H2.
What are the key properties of N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]cyclohexanamine?
N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]cyclohexanamine has a molecular weight of 291.74 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]cyclohexanamine is sourced from PubChem (CID 11951936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).