1-benzhydryl-N-(2,2-difluoroethyl)azetidin-3-amine

C18H20F2N2 — CID 155893038

IUPAC1-benzhydryl-N-(2,2-difluoroethyl)azetidin-3-amine
SMILESFC(F)CNC1CN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C18H20F2N2/c19-17(20)11-21-16-12-22(13-16)18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-18,21H,11-13H2
InChIKeyABNHYKQUNYFLHU-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.31
Rot. Bonds6

About 1-benzhydryl-N-(2,2-difluoroethyl)azetidin-3-amine

1-benzhydryl-N-(2,2-difluoroethyl)azetidin-3-amine (PubChem CID 155893038) has the molecular formula C18H20F2N2 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-benzhydryl-N-(2,2-difluoroethyl)azetidin-3-amine.

Molecular Properties

Compound Name1-benzhydryl-N-(2,2-difluoroethyl)azetidin-3-amine
PubChem CID155893038
Molecular FormulaC18H20F2N2
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name1-benzhydryl-N-(2,2-difluoroethyl)azetidin-3-amine
SMILESFC(F)CNC1CN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C18H20F2N2/c19-17(20)11-21-16-12-22(13-16)18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-18,21H,11-13H2
InChIKeyABNHYKQUNYFLHU-UHFFFAOYSA-N
XLogP3.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-benzhydryl-N-(2,2-difluoroethyl)azetidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzhydryl-3-(chloromethyl)azetidine
CID 15015453
(3S,4S,5S,6S)-1-benzhydrylazepane-3,4,5,6-tetrol
CID 10568359
1-[(4-fluorophenyl)-phenylmethyl]-N-methylpyrrolidin-3-amine
CID 115299896
2-(1-benzhydrylazetidin-3-yl)acetaldehyde
CID 58739272
N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-phenylethyl]cyclopropanamine
CID 115562211
1-(1-benzhydrylazetidin-3-yl)-4-fluoropiperidine
CID 21184137
N-(1-benzhydrylazetidin-3-yl)-2-bromobenzamide
CID 71666506
2-(1-benzhydrylazetidin-3-yl)oxyethanol
CID 142434667
tert-butyl N-(1-benzhydrylazetidin-3-yl)carbamate;hydrochloride
CID 170994169
(1-benzhydrylazetidin-3-yl) N-(2-methylpropyl)carbamate
CID 90844894
2-[3-benzyl-5-(2,2-difluoroethylamino)piperidin-1-yl]acetonitrile
CID 83993345
(1-benzhydrylazetidin-3-yl)-piperidin-1-ylmethanone
CID 131875139

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-N-(2,2-difluoroethyl)azetidin-3-amine?
The IUPAC name of 1-benzhydryl-N-(2,2-difluoroethyl)azetidin-3-amine (CID 155893038) is 1-benzhydryl-N-(2,2-difluoroethyl)azetidin-3-amine.
What is the SMILES notation for 1-benzhydryl-N-(2,2-difluoroethyl)azetidin-3-amine?
The canonical SMILES for 1-benzhydryl-N-(2,2-difluoroethyl)azetidin-3-amine is FC(F)CNC1CN(C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 1-benzhydryl-N-(2,2-difluoroethyl)azetidin-3-amine?
The InChIKey is ABNHYKQUNYFLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2/c19-17(20)11-21-16-12-22(13-16)18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-18,21H,11-13H2.
What are the key properties of 1-benzhydryl-N-(2,2-difluoroethyl)azetidin-3-amine?
1-benzhydryl-N-(2,2-difluoroethyl)azetidin-3-amine has a molecular weight of 302.37 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-N-(2,2-difluoroethyl)azetidin-3-amine is sourced from PubChem (CID 155893038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).