N-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]cyclopentanamine

C19H27F2N — CID 153338544

IUPACN-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]cyclopentanamine
SMILESFc1ccc(C2CCC(CCNC3CCCC3)CC2)c(F)c1
InChIInChI=1S/C19H27F2N/c20-16-9-10-18(19(21)13-16)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
InChIKeyIYNPQYVBKOQPCV-UHFFFAOYSA-N
MW307.43 g/mol
LogP5.16
Rot. Bonds5

About N-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]cyclopentanamine

N-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]cyclopentanamine (PubChem CID 153338544) has the molecular formula C19H27F2N and a molecular weight of 307.43 g/mol. Its IUPAC name is N-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]cyclopentanamine.

Molecular Properties

Compound NameN-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]cyclopentanamine
PubChem CID153338544
Molecular FormulaC19H27F2N
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC NameN-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]cyclopentanamine
SMILESFc1ccc(C2CCC(CCNC3CCCC3)CC2)c(F)c1
InChIInChI=1S/C19H27F2N/c20-16-9-10-18(19(21)13-16)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
InChIKeyIYNPQYVBKOQPCV-UHFFFAOYSA-N
XLogP5.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.43
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]cyclopentanamine?
The IUPAC name of N-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]cyclopentanamine (CID 153338544) is N-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]cyclopentanamine.
What is the SMILES notation for N-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]cyclopentanamine?
The canonical SMILES for N-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]cyclopentanamine is Fc1ccc(C2CCC(CCNC3CCCC3)CC2)c(F)c1.
What is the InChIKey of N-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]cyclopentanamine?
The InChIKey is IYNPQYVBKOQPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F2N/c20-16-9-10-18(19(21)13-16)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-(2,4-difluorophenyl)cyclohexyl]ethyl]cyclopentanamine?
N-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]cyclopentanamine has a molecular weight of 307.43 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]cyclopentanamine is sourced from PubChem (CID 153338544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).