N-benzhydryl-4-(difluoromethoxy)cyclohexan-1-amine

C20H23F2NO — CID 167435824

IUPACN-benzhydryl-4-(difluoromethoxy)cyclohexan-1-amine
SMILESFC(F)OC1CCC(NC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C20H23F2NO/c21-20(22)24-18-13-11-17(12-14-18)23-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-20,23H,11-14H2
InChIKeyQUSNQLOFARXYSJ-UHFFFAOYSA-N
MW331.41 g/mol
LogP4.92
Rot. Bonds6

About N-benzhydryl-4-(difluoromethoxy)cyclohexan-1-amine

N-benzhydryl-4-(difluoromethoxy)cyclohexan-1-amine (PubChem CID 167435824) has the molecular formula C20H23F2NO and a molecular weight of 331.41 g/mol. Its IUPAC name is N-benzhydryl-4-(difluoromethoxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN-benzhydryl-4-(difluoromethoxy)cyclohexan-1-amine
PubChem CID167435824
Molecular FormulaC20H23F2NO
Molecular Weight331.41 g/mol
Exact Mass331.17
IUPAC NameN-benzhydryl-4-(difluoromethoxy)cyclohexan-1-amine
SMILESFC(F)OC1CCC(NC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C20H23F2NO/c21-20(22)24-18-13-11-17(12-14-18)23-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-20,23H,11-14H2
InChIKeyQUSNQLOFARXYSJ-UHFFFAOYSA-N
XLogP4.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-4-(difluoromethoxy)cyclohexan-1-amine?
The IUPAC name of N-benzhydryl-4-(difluoromethoxy)cyclohexan-1-amine (CID 167435824) is N-benzhydryl-4-(difluoromethoxy)cyclohexan-1-amine.
What is the SMILES notation for N-benzhydryl-4-(difluoromethoxy)cyclohexan-1-amine?
The canonical SMILES for N-benzhydryl-4-(difluoromethoxy)cyclohexan-1-amine is FC(F)OC1CCC(NC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-benzhydryl-4-(difluoromethoxy)cyclohexan-1-amine?
The InChIKey is QUSNQLOFARXYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2NO/c21-20(22)24-18-13-11-17(12-14-18)23-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-20,23H,11-14H2.
What are the key properties of N-benzhydryl-4-(difluoromethoxy)cyclohexan-1-amine?
N-benzhydryl-4-(difluoromethoxy)cyclohexan-1-amine has a molecular weight of 331.41 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-4-(difluoromethoxy)cyclohexan-1-amine is sourced from PubChem (CID 167435824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).