N,N-dibenzyl-4-(difluoromethoxy)cyclohexan-1-amine

C21H25F2NO — CID 71237036

IUPACN,N-dibenzyl-4-(difluoromethoxy)cyclohexan-1-amine
SMILESFC(F)OC1CCC(N(Cc2ccccc2)Cc2ccccc2)CC1
InChIInChI=1S/C21H25F2NO/c22-21(23)25-20-13-11-19(12-14-20)24(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-10,19-21H,11-16H2
InChIKeyAJIYPAPKKGULNG-UHFFFAOYSA-N
MW345.43 g/mol
LogP5.24
Rot. Bonds7

About N,N-dibenzyl-4-(difluoromethoxy)cyclohexan-1-amine

N,N-dibenzyl-4-(difluoromethoxy)cyclohexan-1-amine (PubChem CID 71237036) has the molecular formula C21H25F2NO and a molecular weight of 345.43 g/mol. Its IUPAC name is N,N-dibenzyl-4-(difluoromethoxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN,N-dibenzyl-4-(difluoromethoxy)cyclohexan-1-amine
PubChem CID71237036
Molecular FormulaC21H25F2NO
Molecular Weight345.43 g/mol
Exact Mass345.19
IUPAC NameN,N-dibenzyl-4-(difluoromethoxy)cyclohexan-1-amine
SMILESFC(F)OC1CCC(N(Cc2ccccc2)Cc2ccccc2)CC1
InChIInChI=1S/C21H25F2NO/c22-21(23)25-20-13-11-19(12-14-20)24(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-10,19-21H,11-16H2
InChIKeyAJIYPAPKKGULNG-UHFFFAOYSA-N
XLogP5.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.43
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dibenzylcyclobutanamine
CID 70822586
(R)-cyclopropyl-[4-(dibenzylamino)cyclohexyl]methanol
CID 59401599
1-[[4-(dibenzylamino)cyclohexyl]oxymethyl]cyclopropan-1-ol
CID 129247626
[4-(dibenzylamino)cyclohexyl] benzoate
CID 58137959
4-[(2-aminohydrazinyl)methyl]-N,N-dibenzylcyclohexan-1-amine;difluoromethanamine
CID 153404785
N-[[4-(aminomethyl)phenyl]methyl]-N-benzylcyclopropanamine
CID 43575847
3-[4-(dibenzylamino)cyclohexyl]oxy-4-[[4-(dibenzylamino)cyclohexyl]oxymethyl]-5,5,5-trifluoro-4-methylpentan-2-one
CID 129247942
(1S)-1-[4-(dibenzylamino)cyclohexyl]ethanol
CID 155786495
1-cyclopropyl-2-[4-(dibenzylamino)cyclohexyl]oxyethanone
CID 139369144
2-[[benzyl(cyclopropyl)amino]methyl]aniline
CID 43460969
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-benzylcyclopropanamine
CID 107113137
cis-(1R,3S)-N,N-dibenzyl-3-methylcyclopentan-1-amine
CID 89453072

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-4-(difluoromethoxy)cyclohexan-1-amine?
The IUPAC name of N,N-dibenzyl-4-(difluoromethoxy)cyclohexan-1-amine (CID 71237036) is N,N-dibenzyl-4-(difluoromethoxy)cyclohexan-1-amine.
What is the SMILES notation for N,N-dibenzyl-4-(difluoromethoxy)cyclohexan-1-amine?
The canonical SMILES for N,N-dibenzyl-4-(difluoromethoxy)cyclohexan-1-amine is FC(F)OC1CCC(N(Cc2ccccc2)Cc2ccccc2)CC1.
What is the InChIKey of N,N-dibenzyl-4-(difluoromethoxy)cyclohexan-1-amine?
The InChIKey is AJIYPAPKKGULNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2NO/c22-21(23)25-20-13-11-19(12-14-20)24(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-10,19-21H,11-16H2.
What are the key properties of N,N-dibenzyl-4-(difluoromethoxy)cyclohexan-1-amine?
N,N-dibenzyl-4-(difluoromethoxy)cyclohexan-1-amine has a molecular weight of 345.43 g/mol, XLogP of 5.24, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-4-(difluoromethoxy)cyclohexan-1-amine is sourced from PubChem (CID 71237036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).