4-[[1-[4-(difluoromethylsulfanyl)phenyl]ethylamino]methyl]-N,N-dimethyloxan-4-amine

C17H26F2N2OS — CID 75428167

IUPAC4-[[1-[4-(difluoromethylsulfanyl)phenyl]ethylamino]methyl]-N,N-dimethyloxan-4-amine
SMILESCC(NCC1(N(C)C)CCOCC1)c1ccc(SC(F)F)cc1
InChIInChI=1S/C17H26F2N2OS/c1-13(14-4-6-15(7-5-14)23-16(18)19)20-12-17(21(2)3)8-10-22-11-9-17/h4-7,13,16,20H,8-12H2,1-3H3
InChIKeyIIOZZMKXPQEWEG-UHFFFAOYSA-N
MW344.47 g/mol
LogP3.76
Rot. Bonds7

About 4-[[1-[4-(difluoromethylsulfanyl)phenyl]ethylamino]methyl]-N,N-dimethyloxan-4-amine

4-[[1-[4-(difluoromethylsulfanyl)phenyl]ethylamino]methyl]-N,N-dimethyloxan-4-amine (PubChem CID 75428167) has the molecular formula C17H26F2N2OS and a molecular weight of 344.47 g/mol. Its IUPAC name is 4-[[1-[4-(difluoromethylsulfanyl)phenyl]ethylamino]methyl]-N,N-dimethyloxan-4-amine.

Molecular Properties

Compound Name4-[[1-[4-(difluoromethylsulfanyl)phenyl]ethylamino]methyl]-N,N-dimethyloxan-4-amine
PubChem CID75428167
Molecular FormulaC17H26F2N2OS
Molecular Weight344.47 g/mol
Exact Mass344.17
IUPAC Name4-[[1-[4-(difluoromethylsulfanyl)phenyl]ethylamino]methyl]-N,N-dimethyloxan-4-amine
SMILESCC(NCC1(N(C)C)CCOCC1)c1ccc(SC(F)F)cc1
InChIInChI=1S/C17H26F2N2OS/c1-13(14-4-6-15(7-5-14)23-16(18)19)20-12-17(21(2)3)8-10-22-11-9-17/h4-7,13,16,20H,8-12H2,1-3H3
InChIKeyIIOZZMKXPQEWEG-UHFFFAOYSA-N
XLogP3.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.47
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(1S)-1-[[4-(dimethylamino)oxan-4-yl]methylamino]ethyl]phenyl]pyrrolidin-2-one
CID 97322468
N,N-dimethyl-1-[[1-(4-methylphenyl)ethylamino]methyl]cyclopentan-1-amine
CID 81301036
1-[[1-[4-(difluoromethoxy)phenyl]ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105415471
1-[[1-(4-ethylphenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 83107346
1-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105415003
N,N-dimethyl-1-[[1-(4-propylphenyl)ethylamino]methyl]cyclopentan-1-amine
CID 83108390
4-[1-[[1-(dimethylamino)cyclohexyl]methylamino]ethyl]benzonitrile
CID 43201843
(1S)-2-[[(1S)-1-[4-(difluoromethylsulfanyl)phenyl]ethyl]amino]-1-(furan-2-yl)ethanol
CID 97229548
N-[(4-methyloxan-4-yl)methyl]-1-phenylethanamine
CID 103742213
N-[(3-methoxyoxolan-3-yl)methyl]-1-(4-propylphenyl)ethanamine
CID 104705771
1-[[[4-(difluoromethyl)phenyl]methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105415633
4-[[1-(4-ethylphenyl)ethylamino]methyl]oxan-4-ol
CID 81130776

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[4-(difluoromethylsulfanyl)phenyl]ethylamino]methyl]-N,N-dimethyloxan-4-amine?
The IUPAC name of 4-[[1-[4-(difluoromethylsulfanyl)phenyl]ethylamino]methyl]-N,N-dimethyloxan-4-amine (CID 75428167) is 4-[[1-[4-(difluoromethylsulfanyl)phenyl]ethylamino]methyl]-N,N-dimethyloxan-4-amine.
What is the SMILES notation for 4-[[1-[4-(difluoromethylsulfanyl)phenyl]ethylamino]methyl]-N,N-dimethyloxan-4-amine?
The canonical SMILES for 4-[[1-[4-(difluoromethylsulfanyl)phenyl]ethylamino]methyl]-N,N-dimethyloxan-4-amine is CC(NCC1(N(C)C)CCOCC1)c1ccc(SC(F)F)cc1.
What is the InChIKey of 4-[[1-[4-(difluoromethylsulfanyl)phenyl]ethylamino]methyl]-N,N-dimethyloxan-4-amine?
The InChIKey is IIOZZMKXPQEWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F2N2OS/c1-13(14-4-6-15(7-5-14)23-16(18)19)20-12-17(21(2)3)8-10-22-11-9-17/h4-7,13,16,20H,8-12H2,1-3H3.
What are the key properties of 4-[[1-[4-(difluoromethylsulfanyl)phenyl]ethylamino]methyl]-N,N-dimethyloxan-4-amine?
4-[[1-[4-(difluoromethylsulfanyl)phenyl]ethylamino]methyl]-N,N-dimethyloxan-4-amine has a molecular weight of 344.47 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[4-(difluoromethylsulfanyl)phenyl]ethylamino]methyl]-N,N-dimethyloxan-4-amine is sourced from PubChem (CID 75428167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).