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

C19H28ClFN2 — CID 153338592

IUPACN-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]cyclohexanamine
SMILESFc1cnc(C2CCC(CCNC3CCCCC3)CC2)c(Cl)c1
InChIInChI=1S/C19H28ClFN2/c20-18-12-16(21)13-23-19(18)15-8-6-14(7-9-15)10-11-22-17-4-2-1-3-5-17/h12-15,17,22H,1-11H2
InChIKeyACGIAOWMGMGEGG-UHFFFAOYSA-N
MW338.90 g/mol
LogP5.46
Rot. Bonds5

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

N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]cyclohexanamine (PubChem CID 153338592) has the molecular formula C19H28ClFN2 and a molecular weight of 338.90 g/mol. Its IUPAC name is N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]cyclohexanamine.

Molecular Properties

Compound NameN-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]cyclohexanamine
PubChem CID153338592
Molecular FormulaC19H28ClFN2
Molecular Weight338.90 g/mol
Exact Mass338.19
IUPAC NameN-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]cyclohexanamine
SMILESFc1cnc(C2CCC(CCNC3CCCCC3)CC2)c(Cl)c1
InChIInChI=1S/C19H28ClFN2/c20-18-12-16(21)13-23-19(18)15-8-6-14(7-9-15)10-11-22-17-4-2-1-3-5-17/h12-15,17,22H,1-11H2
InChIKeyACGIAOWMGMGEGG-UHFFFAOYSA-N
XLogP5.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.90
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]cyclohexanamine?
The IUPAC name of N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]cyclohexanamine (CID 153338592) is N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]cyclohexanamine.
What is the SMILES notation for N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]cyclohexanamine?
The canonical SMILES for N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]cyclohexanamine is Fc1cnc(C2CCC(CCNC3CCCCC3)CC2)c(Cl)c1.
What is the InChIKey of N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]cyclohexanamine?
The InChIKey is ACGIAOWMGMGEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClFN2/c20-18-12-16(21)13-23-19(18)15-8-6-14(7-9-15)10-11-22-17-4-2-1-3-5-17/h12-15,17,22H,1-11H2.
What are the key properties of N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]cyclohexanamine?
N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]cyclohexanamine has a molecular weight of 338.90 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-chloro-5-fluoro-2-pyridinyl)cyclohexyl]ethyl]cyclohexanamine is sourced from PubChem (CID 153338592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).