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

C20H30FNO — CID 153338521

IUPACN-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]oxan-4-amine
SMILESCc1cc(F)ccc1C1CCC(CCNC2CCOCC2)CC1
InChIInChI=1S/C20H30FNO/c1-15-14-18(21)6-7-20(15)17-4-2-16(3-5-17)8-11-22-19-9-12-23-13-10-19/h6-7,14,16-17,19,22H,2-5,8-13H2,1H3
InChIKeyOLLZTKSSENIKCE-UHFFFAOYSA-N
MW319.46 g/mol
LogP4.57
Rot. Bonds5

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

N-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]oxan-4-amine (PubChem CID 153338521) has the molecular formula C20H30FNO and a molecular weight of 319.46 g/mol. Its IUPAC name is N-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]oxan-4-amine.

Molecular Properties

Compound NameN-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]oxan-4-amine
PubChem CID153338521
Molecular FormulaC20H30FNO
Molecular Weight319.46 g/mol
Exact Mass319.23
IUPAC NameN-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]oxan-4-amine
SMILESCc1cc(F)ccc1C1CCC(CCNC2CCOCC2)CC1
InChIInChI=1S/C20H30FNO/c1-15-14-18(21)6-7-20(15)17-4-2-16(3-5-17)8-11-22-19-9-12-23-13-10-19/h6-7,14,16-17,19,22H,2-5,8-13H2,1H3
InChIKeyOLLZTKSSENIKCE-UHFFFAOYSA-N
XLogP4.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.46
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]oxan-4-amine?
The IUPAC name of N-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]oxan-4-amine (CID 153338521) is N-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]oxan-4-amine.
What is the SMILES notation for N-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]oxan-4-amine?
The canonical SMILES for N-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]oxan-4-amine is Cc1cc(F)ccc1C1CCC(CCNC2CCOCC2)CC1.
What is the InChIKey of N-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]oxan-4-amine?
The InChIKey is OLLZTKSSENIKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FNO/c1-15-14-18(21)6-7-20(15)17-4-2-16(3-5-17)8-11-22-19-9-12-23-13-10-19/h6-7,14,16-17,19,22H,2-5,8-13H2,1H3.
What are the key properties of N-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]oxan-4-amine?
N-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]oxan-4-amine has a molecular weight of 319.46 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]oxan-4-amine is sourced from PubChem (CID 153338521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).