N-(2,2-difluoro-2-phenylethyl)-1-morpholin-4-ylpropan-2-amine

C15H22F2N2O — CID 116788942

IUPACN-(2,2-difluoro-2-phenylethyl)-1-morpholin-4-ylpropan-2-amine
SMILESCC(CN1CCOCC1)NCC(F)(F)c1ccccc1
InChIInChI=1S/C15H22F2N2O/c1-13(11-19-7-9-20-10-8-19)18-12-15(16,17)14-5-3-2-4-6-14/h2-6,13,18H,7-12H2,1H3
InChIKeyBNKPROPXVGRZOQ-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.09
Rot. Bonds6

About N-(2,2-difluoro-2-phenylethyl)-1-morpholin-4-ylpropan-2-amine

N-(2,2-difluoro-2-phenylethyl)-1-morpholin-4-ylpropan-2-amine (PubChem CID 116788942) has the molecular formula C15H22F2N2O and a molecular weight of 284.35 g/mol. Its IUPAC name is N-(2,2-difluoro-2-phenylethyl)-1-morpholin-4-ylpropan-2-amine.

Molecular Properties

Compound NameN-(2,2-difluoro-2-phenylethyl)-1-morpholin-4-ylpropan-2-amine
PubChem CID116788942
Molecular FormulaC15H22F2N2O
Molecular Weight284.35 g/mol
Exact Mass284.17
IUPAC NameN-(2,2-difluoro-2-phenylethyl)-1-morpholin-4-ylpropan-2-amine
SMILESCC(CN1CCOCC1)NCC(F)(F)c1ccccc1
InChIInChI=1S/C15H22F2N2O/c1-13(11-19-7-9-20-10-8-19)18-12-15(16,17)14-5-3-2-4-6-14/h2-6,13,18H,7-12H2,1H3
InChIKeyBNKPROPXVGRZOQ-UHFFFAOYSA-N
XLogP2.09
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-1-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol
CID 62374500
1-morpholin-4-yl-N-(2-phenylsulfanylethyl)propan-2-amine
CID 79222698
4-[(2S)-2-phenylpropyl]morpholine
CID 757569
1-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine
CID 119126800
4-[(2R)-2-(4-phenylphenyl)propyl]morpholine
CID 96566967
1-morpholin-4-yl-N-(pyrimidin-2-ylmethyl)propan-2-amine
CID 62699740
N-[[2-(difluoromethoxy)phenyl]methyl]-1-morpholin-4-ylpropan-2-amine
CID 43675802
N-(2-fluoroethyl)-1-morpholin-4-ylpropan-2-amine
CID 80694695
N-(3-fluoropropyl)-1-morpholin-4-ylpropan-2-amine
CID 81105734
1-morpholin-4-yl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine
CID 63051875
2-(benzylamino)-3-morpholin-4-ylpropanoic acid
CID 91254110
N-[(5-ethylfuran-2-yl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 62345255

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-2-phenylethyl)-1-morpholin-4-ylpropan-2-amine?
The IUPAC name of N-(2,2-difluoro-2-phenylethyl)-1-morpholin-4-ylpropan-2-amine (CID 116788942) is N-(2,2-difluoro-2-phenylethyl)-1-morpholin-4-ylpropan-2-amine.
What is the SMILES notation for N-(2,2-difluoro-2-phenylethyl)-1-morpholin-4-ylpropan-2-amine?
The canonical SMILES for N-(2,2-difluoro-2-phenylethyl)-1-morpholin-4-ylpropan-2-amine is CC(CN1CCOCC1)NCC(F)(F)c1ccccc1.
What is the InChIKey of N-(2,2-difluoro-2-phenylethyl)-1-morpholin-4-ylpropan-2-amine?
The InChIKey is BNKPROPXVGRZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O/c1-13(11-19-7-9-20-10-8-19)18-12-15(16,17)14-5-3-2-4-6-14/h2-6,13,18H,7-12H2,1H3.
What are the key properties of N-(2,2-difluoro-2-phenylethyl)-1-morpholin-4-ylpropan-2-amine?
N-(2,2-difluoro-2-phenylethyl)-1-morpholin-4-ylpropan-2-amine has a molecular weight of 284.35 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-2-phenylethyl)-1-morpholin-4-ylpropan-2-amine is sourced from PubChem (CID 116788942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).