N-[2-[1-(4-fluorophenyl)cyclohexyl]ethyl]-2,2-dimethyloxan-4-amine

C21H32FNO — CID 42654769

IUPACN-[2-[1-(4-fluorophenyl)cyclohexyl]ethyl]-2,2-dimethyloxan-4-amine
SMILESCC1(C)CC(NCCC2(c3ccc(F)cc3)CCCCC2)CCO1
InChIInChI=1S/C21H32FNO/c1-20(2)16-19(10-15-24-20)23-14-13-21(11-4-3-5-12-21)17-6-8-18(22)9-7-17/h6-9,19,23H,3-5,10-16H2,1-2H3
InChIKeyTYSBSAYYKJVMDO-UHFFFAOYSA-N
MW333.49 g/mol
LogP4.96
Rot. Bonds5

About N-[2-[1-(4-fluorophenyl)cyclohexyl]ethyl]-2,2-dimethyloxan-4-amine

N-[2-[1-(4-fluorophenyl)cyclohexyl]ethyl]-2,2-dimethyloxan-4-amine (PubChem CID 42654769) has the molecular formula C21H32FNO and a molecular weight of 333.49 g/mol. Its IUPAC name is N-[2-[1-(4-fluorophenyl)cyclohexyl]ethyl]-2,2-dimethyloxan-4-amine.

Molecular Properties

Compound NameN-[2-[1-(4-fluorophenyl)cyclohexyl]ethyl]-2,2-dimethyloxan-4-amine
PubChem CID42654769
Molecular FormulaC21H32FNO
Molecular Weight333.49 g/mol
Exact Mass333.25
IUPAC NameN-[2-[1-(4-fluorophenyl)cyclohexyl]ethyl]-2,2-dimethyloxan-4-amine
SMILESCC1(C)CC(NCCC2(c3ccc(F)cc3)CCCCC2)CCO1
InChIInChI=1S/C21H32FNO/c1-20(2)16-19(10-15-24-20)23-14-13-21(11-4-3-5-12-21)17-6-8-18(22)9-7-17/h6-9,19,23H,3-5,10-16H2,1-2H3
InChIKeyTYSBSAYYKJVMDO-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

benzyl({2-[(9R)-9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethyl})amine
CID 68314305
N-benzyl-2-[(9S)-9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethanamine
CID 68314306
N-benzyl-2-[2,2-diethyl-4-(4-fluorophenyl)oxan-4-yl]ethanamine
CID 72711948
N-benzyl-2-[9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethanamine
CID 72711950
N-benzyl-2-[4-(4-fluorophenyl)-1-oxaspiro[5.5]undecan-4-yl]ethanamine
CID 72711952
(1R)-N-[2-[(9R)-9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethyl]-1-phenylethanamine
CID 72711954
(1S)-N-[2-[(9R)-9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethyl]-1-phenylethanamine
CID 72712149
1,9-Dioxaspiro[5.5]undec-4-yl{[1-(2-fluorophenyl)cyclopentyl]methyl}amine
CID 70751586
2-(4-benzyl-2,2-dimethyloxan-4-yl)-N-[(4-fluorophenyl)methyl]ethanamine
CID 2938065
N-benzyl-2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]ethanamine
CID 68314329
N-[2-[(9R)-9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethyl]-2-phenylpropan-2-amine
CID 72712151
2-(2,2-dimethyl-4-phenyloxan-4-yl)-N-[(2-fluorophenyl)methyl]ethanamine
CID 2937474

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-fluorophenyl)cyclohexyl]ethyl]-2,2-dimethyloxan-4-amine?
The IUPAC name of N-[2-[1-(4-fluorophenyl)cyclohexyl]ethyl]-2,2-dimethyloxan-4-amine (CID 42654769) is N-[2-[1-(4-fluorophenyl)cyclohexyl]ethyl]-2,2-dimethyloxan-4-amine.
What is the SMILES notation for N-[2-[1-(4-fluorophenyl)cyclohexyl]ethyl]-2,2-dimethyloxan-4-amine?
The canonical SMILES for N-[2-[1-(4-fluorophenyl)cyclohexyl]ethyl]-2,2-dimethyloxan-4-amine is CC1(C)CC(NCCC2(c3ccc(F)cc3)CCCCC2)CCO1.
What is the InChIKey of N-[2-[1-(4-fluorophenyl)cyclohexyl]ethyl]-2,2-dimethyloxan-4-amine?
The InChIKey is TYSBSAYYKJVMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32FNO/c1-20(2)16-19(10-15-24-20)23-14-13-21(11-4-3-5-12-21)17-6-8-18(22)9-7-17/h6-9,19,23H,3-5,10-16H2,1-2H3.
What are the key properties of N-[2-[1-(4-fluorophenyl)cyclohexyl]ethyl]-2,2-dimethyloxan-4-amine?
N-[2-[1-(4-fluorophenyl)cyclohexyl]ethyl]-2,2-dimethyloxan-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-[1-(4-fluorophenyl)cyclohexyl]ethyl]-2,2-dimethyloxan-4-amine is sourced from PubChem (CID 42654769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).