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

C19H27ClFN — CID 155757722

IUPACN-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]cyclopentanamine
SMILESFc1ccc(C2CCC(CCNC3CCCC3)CC2)c(Cl)c1
InChIInChI=1S/C19H27ClFN/c20-19-13-16(21)9-10-18(19)15-7-5-14(6-8-15)11-12-22-17-3-1-2-4-17/h9-10,13-15,17,22H,1-8,11-12H2
InChIKeyBUQYWPYCEBJJPM-UHFFFAOYSA-N
MW323.88 g/mol
LogP5.68
Rot. Bonds5

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

N-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]cyclopentanamine (PubChem CID 155757722) has the molecular formula C19H27ClFN and a molecular weight of 323.88 g/mol. Its IUPAC name is N-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]cyclopentanamine.

Molecular Properties

Compound NameN-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]cyclopentanamine
PubChem CID155757722
Molecular FormulaC19H27ClFN
Molecular Weight323.88 g/mol
Exact Mass323.18
IUPAC NameN-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]cyclopentanamine
SMILESFc1ccc(C2CCC(CCNC3CCCC3)CC2)c(Cl)c1
InChIInChI=1S/C19H27ClFN/c20-19-13-16(21)9-10-18(19)15-7-5-14(6-8-15)11-12-22-17-3-1-2-4-17/h9-10,13-15,17,22H,1-8,11-12H2
InChIKeyBUQYWPYCEBJJPM-UHFFFAOYSA-N
XLogP5.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.88
LogP ≤ 55.68
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-4-fluorophenyl)cyclohexyl]ethyl]cyclopentanamine?
The IUPAC name of N-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]cyclopentanamine (CID 155757722) is N-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]cyclopentanamine.
What is the SMILES notation for N-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]cyclopentanamine?
The canonical SMILES for N-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]cyclopentanamine is Fc1ccc(C2CCC(CCNC3CCCC3)CC2)c(Cl)c1.
What is the InChIKey of N-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]cyclopentanamine?
The InChIKey is BUQYWPYCEBJJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClFN/c20-19-13-16(21)9-10-18(19)15-7-5-14(6-8-15)11-12-22-17-3-1-2-4-17/h9-10,13-15,17,22H,1-8,11-12H2.
What are the key properties of N-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]cyclopentanamine?
N-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]cyclopentanamine has a molecular weight of 323.88 g/mol, XLogP of 5.68, 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-4-fluorophenyl)cyclohexyl]ethyl]cyclopentanamine is sourced from PubChem (CID 155757722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).