N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]oxan-4-amine

C18H26ClFN2O — CID 153338555

IUPACN-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]oxan-4-amine
SMILESFc1cnc(C2CCC(CCNC3CCOCC3)CC2)c(Cl)c1
InChIInChI=1S/C18H26ClFN2O/c19-17-11-15(20)12-22-18(17)14-3-1-13(2-4-14)5-8-21-16-6-9-23-10-7-16/h11-14,16,21H,1-10H2
InChIKeyUDJARJXZYCRFJE-UHFFFAOYSA-N
MW340.87 g/mol
LogP4.31
Rot. Bonds5

About N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]oxan-4-amine

N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]oxan-4-amine (PubChem CID 153338555) has the molecular formula C18H26ClFN2O and a molecular weight of 340.87 g/mol. Its IUPAC name is N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]oxan-4-amine.

Molecular Properties

Compound NameN-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]oxan-4-amine
PubChem CID153338555
Molecular FormulaC18H26ClFN2O
Molecular Weight340.87 g/mol
Exact Mass340.17
IUPAC NameN-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]oxan-4-amine
SMILESFc1cnc(C2CCC(CCNC3CCOCC3)CC2)c(Cl)c1
InChIInChI=1S/C18H26ClFN2O/c19-17-11-15(20)12-22-18(17)14-3-1-13(2-4-14)5-8-21-16-6-9-23-10-7-16/h11-14,16,21H,1-10H2
InChIKeyUDJARJXZYCRFJE-UHFFFAOYSA-N
XLogP4.31
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.87
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]oxan-4-amine?
The IUPAC name of N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]oxan-4-amine (CID 153338555) is N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]oxan-4-amine.
What is the SMILES notation for N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]oxan-4-amine?
The canonical SMILES for N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]oxan-4-amine is Fc1cnc(C2CCC(CCNC3CCOCC3)CC2)c(Cl)c1.
What is the InChIKey of N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]oxan-4-amine?
The InChIKey is UDJARJXZYCRFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClFN2O/c19-17-11-15(20)12-22-18(17)14-3-1-13(2-4-14)5-8-21-16-6-9-23-10-7-16/h11-14,16,21H,1-10H2.
What are the key properties of N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]oxan-4-amine?
N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]oxan-4-amine has a molecular weight of 340.87 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]oxan-4-amine is sourced from PubChem (CID 153338555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).