N-[[4-(difluoromethylsulfonyl)phenyl]methyl]-2-morpholin-4-yl-1-phenylethanamine

C20H24F2N2O3S — CID 112804329

IUPACN-[[4-(difluoromethylsulfonyl)phenyl]methyl]-2-morpholin-4-yl-1-phenylethanamine
SMILESO=S(=O)(c1ccc(CNC(CN2CCOCC2)c2ccccc2)cc1)C(F)F
InChIInChI=1S/C20H24F2N2O3S/c21-20(22)28(25,26)18-8-6-16(7-9-18)14-23-19(17-4-2-1-3-5-17)15-24-10-12-27-13-11-24/h1-9,19-20,23H,10-15H2
InChIKeyWPZVSLGGAGGDEU-UHFFFAOYSA-N
MW410.49 g/mol
LogP2.85
Rot. Bonds8

About N-[[4-(difluoromethylsulfonyl)phenyl]methyl]-2-morpholin-4-yl-1-phenylethanamine

N-[[4-(difluoromethylsulfonyl)phenyl]methyl]-2-morpholin-4-yl-1-phenylethanamine (PubChem CID 112804329) has the molecular formula C20H24F2N2O3S and a molecular weight of 410.49 g/mol. Its IUPAC name is N-[[4-(difluoromethylsulfonyl)phenyl]methyl]-2-morpholin-4-yl-1-phenylethanamine.

Molecular Properties

Compound NameN-[[4-(difluoromethylsulfonyl)phenyl]methyl]-2-morpholin-4-yl-1-phenylethanamine
PubChem CID112804329
Molecular FormulaC20H24F2N2O3S
Molecular Weight410.49 g/mol
Exact Mass410.15
IUPAC NameN-[[4-(difluoromethylsulfonyl)phenyl]methyl]-2-morpholin-4-yl-1-phenylethanamine
SMILESO=S(=O)(c1ccc(CNC(CN2CCOCC2)c2ccccc2)cc1)C(F)F
InChIInChI=1S/C20H24F2N2O3S/c21-20(22)28(25,26)18-8-6-16(7-9-18)14-23-19(17-4-2-1-3-5-17)15-24-10-12-27-13-11-24/h1-9,19-20,23H,10-15H2
InChIKeyWPZVSLGGAGGDEU-UHFFFAOYSA-N
XLogP2.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-2-morpholin-4-yl-1-phenylethanamine
CID 78823600
N-[(3,4-diethoxyphenyl)methyl]-2-morpholin-4-yl-1-phenylethanamine
CID 78825398
4-tert-butyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide
CID 8845033
(1S)-N-benzyl-1-phenyl-2-piperidin-1-ylethanamine
CID 11254892
4-methoxy-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide
CID 8844917
N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-morpholin-4-yl-1-phenylethanamine
CID 86879709
N-[4-[[(1S)-2-morpholin-4-yl-1-phenylethyl]sulfamoyl]phenyl]acetamide
CID 8844906
N-[(1S)-2-morpholin-4-yl-1-phenylethyl]pyrrolidine-1-sulfonamide
CID 51872327
[(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid
CID 68931667
4-(acetamidomethyl)-N-(2-morpholin-4-yl-1-phenylethyl)benzamide
CID 18166767
N-(2-morpholin-4-ylethyl)-1-phenyl-2-piperidin-1-ylethanamine
CID 51000971
4-[(2R)-2-fluoro-2-phenylethyl]morpholine
CID 134934166

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethylsulfonyl)phenyl]methyl]-2-morpholin-4-yl-1-phenylethanamine?
The IUPAC name of N-[[4-(difluoromethylsulfonyl)phenyl]methyl]-2-morpholin-4-yl-1-phenylethanamine (CID 112804329) is N-[[4-(difluoromethylsulfonyl)phenyl]methyl]-2-morpholin-4-yl-1-phenylethanamine.
What is the SMILES notation for N-[[4-(difluoromethylsulfonyl)phenyl]methyl]-2-morpholin-4-yl-1-phenylethanamine?
The canonical SMILES for N-[[4-(difluoromethylsulfonyl)phenyl]methyl]-2-morpholin-4-yl-1-phenylethanamine is O=S(=O)(c1ccc(CNC(CN2CCOCC2)c2ccccc2)cc1)C(F)F.
What is the InChIKey of N-[[4-(difluoromethylsulfonyl)phenyl]methyl]-2-morpholin-4-yl-1-phenylethanamine?
The InChIKey is WPZVSLGGAGGDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O3S/c21-20(22)28(25,26)18-8-6-16(7-9-18)14-23-19(17-4-2-1-3-5-17)15-24-10-12-27-13-11-24/h1-9,19-20,23H,10-15H2.
What are the key properties of N-[[4-(difluoromethylsulfonyl)phenyl]methyl]-2-morpholin-4-yl-1-phenylethanamine?
N-[[4-(difluoromethylsulfonyl)phenyl]methyl]-2-morpholin-4-yl-1-phenylethanamine has a molecular weight of 410.49 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethylsulfonyl)phenyl]methyl]-2-morpholin-4-yl-1-phenylethanamine is sourced from PubChem (CID 112804329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).