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

C21H32FN — CID 153338438

IUPACN-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]cyclohexanamine
SMILESCc1cc(F)ccc1C1CCC(CCNC2CCCCC2)CC1
InChIInChI=1S/C21H32FN/c1-16-15-19(22)11-12-21(16)18-9-7-17(8-10-18)13-14-23-20-5-3-2-4-6-20/h11-12,15,17-18,20,23H,2-10,13-14H2,1H3
InChIKeyUHRQFXQGQOXZDX-UHFFFAOYSA-N
MW317.49 g/mol
LogP5.72
Rot. Bonds5

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

N-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]cyclohexanamine (PubChem CID 153338438) has the molecular formula C21H32FN and a molecular weight of 317.49 g/mol. Its IUPAC name is N-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]cyclohexanamine.

Molecular Properties

Compound NameN-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]cyclohexanamine
PubChem CID153338438
Molecular FormulaC21H32FN
Molecular Weight317.49 g/mol
Exact Mass317.25
IUPAC NameN-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]cyclohexanamine
SMILESCc1cc(F)ccc1C1CCC(CCNC2CCCCC2)CC1
InChIInChI=1S/C21H32FN/c1-16-15-19(22)11-12-21(16)18-9-7-17(8-10-18)13-14-23-20-5-3-2-4-6-20/h11-12,15,17-18,20,23H,2-10,13-14H2,1H3
InChIKeyUHRQFXQGQOXZDX-UHFFFAOYSA-N
XLogP5.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.49
LogP ≤ 55.72
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]cyclohexanamine?
The IUPAC name of N-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]cyclohexanamine (CID 153338438) is N-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]cyclohexanamine.
What is the SMILES notation for N-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]cyclohexanamine?
The canonical SMILES for N-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]cyclohexanamine is Cc1cc(F)ccc1C1CCC(CCNC2CCCCC2)CC1.
What is the InChIKey of N-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]cyclohexanamine?
The InChIKey is UHRQFXQGQOXZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32FN/c1-16-15-19(22)11-12-21(16)18-9-7-17(8-10-18)13-14-23-20-5-3-2-4-6-20/h11-12,15,17-18,20,23H,2-10,13-14H2,1H3.
What are the key properties of N-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]cyclohexanamine?
N-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]cyclohexanamine has a molecular weight of 317.49 g/mol, XLogP of 5.72, 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]cyclohexanamine is sourced from PubChem (CID 153338438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).