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

C21H32FNO — CID 153338580

IUPACN-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]-4-methyloxan-4-amine
SMILESCc1cc(F)ccc1C1CCC(CCNC2(C)CCOCC2)CC1
InChIInChI=1S/C21H32FNO/c1-16-15-19(22)7-8-20(16)18-5-3-17(4-6-18)9-12-23-21(2)10-13-24-14-11-21/h7-8,15,17-18,23H,3-6,9-14H2,1-2H3
InChIKeyPRKNLAMAOXKRGU-UHFFFAOYSA-N
MW333.49 g/mol
LogP4.96
Rot. Bonds5

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

N-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]-4-methyloxan-4-amine (PubChem CID 153338580) has the molecular formula C21H32FNO and a molecular weight of 333.49 g/mol. Its IUPAC name is N-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]-4-methyloxan-4-amine.

Molecular Properties

Compound NameN-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]-4-methyloxan-4-amine
PubChem CID153338580
Molecular FormulaC21H32FNO
Molecular Weight333.49 g/mol
Exact Mass333.25
IUPAC NameN-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]-4-methyloxan-4-amine
SMILESCc1cc(F)ccc1C1CCC(CCNC2(C)CCOCC2)CC1
InChIInChI=1S/C21H32FNO/c1-16-15-19(22)7-8-20(16)18-5-3-17(4-6-18)9-12-23-21(2)10-13-24-14-11-21/h7-8,15,17-18,23H,3-6,9-14H2,1-2H3
InChIKeyPRKNLAMAOXKRGU-UHFFFAOYSA-N
XLogP4.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.49
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]oxan-4-amine
CID 153338521
US11214540, Example 66
CID 155139308
N-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]-4-(methoxymethyl)oxan-4-amine
CID 153338425
N-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]cyclohexanamine
CID 153338438
N-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]-1-methylcyclopentan-1-amine
CID 153338525
N-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]oxan-4-amine
CID 153338531
4-[2-[4-(4-Fluoro-2-methylphenyl)cyclohexyl]ethylamino]oxane-4-carboxamide
CID 155757717
4-[2-[4-(3,4-Difluoro-2-methylphenyl)cyclohexyl]ethylamino]oxane-4-carboxamide
CID 155757728
US11214540, Example 57
CID 155139004
N-benzyl-4-(4-fluorophenyl)oxan-4-amine
CID 72020763
2-Methyl-3-[4-[2-(oxan-4-ylamino)ethyl]cyclohexyl]benzonitrile
CID 155757719
4-(4-fluorophenyl)-N-[(2-methylphenyl)methyl]oxan-4-amine
CID 53618173

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]-4-methyloxan-4-amine?
The IUPAC name of N-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]-4-methyloxan-4-amine (CID 153338580) is N-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]-4-methyloxan-4-amine.
What is the SMILES notation for N-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]-4-methyloxan-4-amine?
The canonical SMILES for N-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]-4-methyloxan-4-amine is Cc1cc(F)ccc1C1CCC(CCNC2(C)CCOCC2)CC1.
What is the InChIKey of N-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]-4-methyloxan-4-amine?
The InChIKey is PRKNLAMAOXKRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32FNO/c1-16-15-19(22)7-8-20(16)18-5-3-17(4-6-18)9-12-23-21(2)10-13-24-14-11-21/h7-8,15,17-18,23H,3-6,9-14H2,1-2H3.
What are the key properties of N-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]-4-methyloxan-4-amine?
N-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]-4-methyloxan-4-amine has a molecular weight of 333.49 g/mol, XLogP of 4.96, 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]-4-methyloxan-4-amine is sourced from PubChem (CID 153338580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).