2-(3,5-difluorophenyl)-2-(2,2-dimethylthiomorpholin-4-yl)ethanamine

C14H20F2N2S — CID 106528783

IUPAC2-(3,5-difluorophenyl)-2-(2,2-dimethylthiomorpholin-4-yl)ethanamine
SMILESCC1(C)CN(C(CN)c2cc(F)cc(F)c2)CCS1
InChIInChI=1S/C14H20F2N2S/c1-14(2)9-18(3-4-19-14)13(8-17)10-5-11(15)7-12(16)6-10/h5-7,13H,3-4,8-9,17H2,1-2H3
InChIKeyQTXZEFZGNBHSIP-UHFFFAOYSA-N
MW286.39 g/mol
LogP2.79
Rot. Bonds3

About 2-(3,5-difluorophenyl)-2-(2,2-dimethylthiomorpholin-4-yl)ethanamine

2-(3,5-difluorophenyl)-2-(2,2-dimethylthiomorpholin-4-yl)ethanamine (PubChem CID 106528783) has the molecular formula C14H20F2N2S and a molecular weight of 286.39 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-2-(2,2-dimethylthiomorpholin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-2-(2,2-dimethylthiomorpholin-4-yl)ethanamine
PubChem CID106528783
Molecular FormulaC14H20F2N2S
Molecular Weight286.39 g/mol
Exact Mass286.13
IUPAC Name2-(3,5-difluorophenyl)-2-(2,2-dimethylthiomorpholin-4-yl)ethanamine
SMILESCC1(C)CN(C(CN)c2cc(F)cc(F)c2)CCS1
InChIInChI=1S/C14H20F2N2S/c1-14(2)9-18(3-4-19-14)13(8-17)10-5-11(15)7-12(16)6-10/h5-7,13H,3-4,8-9,17H2,1-2H3
InChIKeyQTXZEFZGNBHSIP-UHFFFAOYSA-N
XLogP2.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-difluorophenyl)-2-(7,7-dimethyl-1,4-thiazepan-4-yl)ethanamine
CID 107454108
2-(3,5-difluorophenyl)-2-piperidin-1-ylethanamine
CID 106528476
2-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-(3-fluoro-4-methylphenyl)ethanamine
CID 107453975
2-[4-(difluoromethyl)phenyl]-2-(7,7-dimethyl-1,4-thiazepan-4-yl)ethanamine
CID 107454319
2-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 107454286
2-(4-chloro-2-fluorophenyl)-2-(7,7-dimethyl-1,4-thiazepan-4-yl)ethanamine
CID 107454238
2-(3,5-difluorophenyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine
CID 106528646
2-(3,5-difluorophenyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanamine
CID 106528795
2-(3,5-difluorophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanamine
CID 106528465
2-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-(6-methyl-3-pyridinyl)ethanamine
CID 107454005
2-(4-ethyl-4-methylpiperidin-1-yl)-2-(3-fluorophenyl)ethanamine
CID 63156587
2-(2,4-difluorophenyl)-2-(4,4-dimethylpiperidin-1-yl)ethanamine
CID 55157458

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-2-(2,2-dimethylthiomorpholin-4-yl)ethanamine?
The IUPAC name of 2-(3,5-difluorophenyl)-2-(2,2-dimethylthiomorpholin-4-yl)ethanamine (CID 106528783) is 2-(3,5-difluorophenyl)-2-(2,2-dimethylthiomorpholin-4-yl)ethanamine.
What is the SMILES notation for 2-(3,5-difluorophenyl)-2-(2,2-dimethylthiomorpholin-4-yl)ethanamine?
The canonical SMILES for 2-(3,5-difluorophenyl)-2-(2,2-dimethylthiomorpholin-4-yl)ethanamine is CC1(C)CN(C(CN)c2cc(F)cc(F)c2)CCS1.
What is the InChIKey of 2-(3,5-difluorophenyl)-2-(2,2-dimethylthiomorpholin-4-yl)ethanamine?
The InChIKey is QTXZEFZGNBHSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2S/c1-14(2)9-18(3-4-19-14)13(8-17)10-5-11(15)7-12(16)6-10/h5-7,13H,3-4,8-9,17H2,1-2H3.
What are the key properties of 2-(3,5-difluorophenyl)-2-(2,2-dimethylthiomorpholin-4-yl)ethanamine?
2-(3,5-difluorophenyl)-2-(2,2-dimethylthiomorpholin-4-yl)ethanamine has a molecular weight of 286.39 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-2-(2,2-dimethylthiomorpholin-4-yl)ethanamine is sourced from PubChem (CID 106528783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).