N-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]cyclopentanamine

C20H30FN — CID 155680906

IUPACN-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]cyclopentanamine
SMILESCc1cc(F)ccc1C1CCC(CCNC2CCCC2)CC1
InChIInChI=1S/C20H30FN/c1-15-14-18(21)10-11-20(15)17-8-6-16(7-9-17)12-13-22-19-4-2-3-5-19/h10-11,14,16-17,19,22H,2-9,12-13H2,1H3
InChIKeyNMPIQOIFCMJGPQ-UHFFFAOYSA-N
MW303.46 g/mol
LogP5.33
Rot. Bonds5

About N-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]cyclopentanamine

N-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]cyclopentanamine (PubChem CID 155680906) has the molecular formula C20H30FN and a molecular weight of 303.46 g/mol. Its IUPAC name is N-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]cyclopentanamine.

Molecular Properties

Compound NameN-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]cyclopentanamine
PubChem CID155680906
Molecular FormulaC20H30FN
Molecular Weight303.46 g/mol
Exact Mass303.24
IUPAC NameN-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]cyclopentanamine
SMILESCc1cc(F)ccc1C1CCC(CCNC2CCCC2)CC1
InChIInChI=1S/C20H30FN/c1-15-14-18(21)10-11-20(15)17-8-6-16(7-9-17)12-13-22-19-4-2-3-5-19/h10-11,14,16-17,19,22H,2-9,12-13H2,1H3
InChIKeyNMPIQOIFCMJGPQ-UHFFFAOYSA-N
XLogP5.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.46
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]cyclopentanamine?
The IUPAC name of N-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]cyclopentanamine (CID 155680906) is N-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]cyclopentanamine.
What is the SMILES notation for N-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]cyclopentanamine?
The canonical SMILES for N-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]cyclopentanamine is Cc1cc(F)ccc1C1CCC(CCNC2CCCC2)CC1.
What is the InChIKey of N-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]cyclopentanamine?
The InChIKey is NMPIQOIFCMJGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FN/c1-15-14-18(21)10-11-20(15)17-8-6-16(7-9-17)12-13-22-19-4-2-3-5-19/h10-11,14,16-17,19,22H,2-9,12-13H2,1H3.
What are the key properties of N-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]cyclopentanamine?
N-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]cyclopentanamine has a molecular weight of 303.46 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]cyclopentanamine is sourced from PubChem (CID 155680906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).