N-[2-[4-(2-chloro-5-fluorophenyl)cyclohexyl]ethyl]cyclohexanamine

C20H29ClFN — CID 147643024

IUPACN-[2-[4-(2-chloro-5-fluorophenyl)cyclohexyl]ethyl]cyclohexanamine
SMILESFc1ccc(Cl)c(C2CCC(CCNC3CCCCC3)CC2)c1
InChIInChI=1S/C20H29ClFN/c21-20-11-10-17(22)14-19(20)16-8-6-15(7-9-16)12-13-23-18-4-2-1-3-5-18/h10-11,14-16,18,23H,1-9,12-13H2
InChIKeyGHZRARORGPIXJM-UHFFFAOYSA-N
MW337.91 g/mol
LogP6.07
Rot. Bonds5

About N-[2-[4-(2-chloro-5-fluorophenyl)cyclohexyl]ethyl]cyclohexanamine

N-[2-[4-(2-chloro-5-fluorophenyl)cyclohexyl]ethyl]cyclohexanamine (PubChem CID 147643024) has the molecular formula C20H29ClFN and a molecular weight of 337.91 g/mol. Its IUPAC name is N-[2-[4-(2-chloro-5-fluorophenyl)cyclohexyl]ethyl]cyclohexanamine.

Molecular Properties

Compound NameN-[2-[4-(2-chloro-5-fluorophenyl)cyclohexyl]ethyl]cyclohexanamine
PubChem CID147643024
Molecular FormulaC20H29ClFN
Molecular Weight337.91 g/mol
Exact Mass337.20
IUPAC NameN-[2-[4-(2-chloro-5-fluorophenyl)cyclohexyl]ethyl]cyclohexanamine
SMILESFc1ccc(Cl)c(C2CCC(CCNC3CCCCC3)CC2)c1
InChIInChI=1S/C20H29ClFN/c21-20-11-10-17(22)14-19(20)16-8-6-15(7-9-16)12-13-23-18-4-2-1-3-5-18/h10-11,14-16,18,23H,1-9,12-13H2
InChIKeyGHZRARORGPIXJM-UHFFFAOYSA-N
XLogP6.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.91
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-chloro-5-fluorophenyl)cyclohexyl]ethyl]cyclohexanamine?
The IUPAC name of N-[2-[4-(2-chloro-5-fluorophenyl)cyclohexyl]ethyl]cyclohexanamine (CID 147643024) is N-[2-[4-(2-chloro-5-fluorophenyl)cyclohexyl]ethyl]cyclohexanamine.
What is the SMILES notation for N-[2-[4-(2-chloro-5-fluorophenyl)cyclohexyl]ethyl]cyclohexanamine?
The canonical SMILES for N-[2-[4-(2-chloro-5-fluorophenyl)cyclohexyl]ethyl]cyclohexanamine is Fc1ccc(Cl)c(C2CCC(CCNC3CCCCC3)CC2)c1.
What is the InChIKey of N-[2-[4-(2-chloro-5-fluorophenyl)cyclohexyl]ethyl]cyclohexanamine?
The InChIKey is GHZRARORGPIXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClFN/c21-20-11-10-17(22)14-19(20)16-8-6-15(7-9-16)12-13-23-18-4-2-1-3-5-18/h10-11,14-16,18,23H,1-9,12-13H2.
What are the key properties of N-[2-[4-(2-chloro-5-fluorophenyl)cyclohexyl]ethyl]cyclohexanamine?
N-[2-[4-(2-chloro-5-fluorophenyl)cyclohexyl]ethyl]cyclohexanamine has a molecular weight of 337.91 g/mol, XLogP of 6.07, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-chloro-5-fluorophenyl)cyclohexyl]ethyl]cyclohexanamine is sourced from PubChem (CID 147643024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).