2-(3-cyclopropylphenyl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine

C17H26N2S — CID 79983806

IUPAC2-(3-cyclopropylphenyl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine
SMILESCC1CN(C(CN)c2cccc(C3CC3)c2)CC(C)S1
InChIInChI=1S/C17H26N2S/c1-12-10-19(11-13(2)20-12)17(9-18)16-5-3-4-15(8-16)14-6-7-14/h3-5,8,12-14,17H,6-7,9-11,18H2,1-2H3
InChIKeyDWHZWZNTMARFIU-UHFFFAOYSA-N
MW290.48 g/mol
LogP3.39
Rot. Bonds4

About 2-(3-cyclopropylphenyl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine

2-(3-cyclopropylphenyl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine (PubChem CID 79983806) has the molecular formula C17H26N2S and a molecular weight of 290.48 g/mol. Its IUPAC name is 2-(3-cyclopropylphenyl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3-cyclopropylphenyl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine
PubChem CID79983806
Molecular FormulaC17H26N2S
Molecular Weight290.48 g/mol
Exact Mass290.18
IUPAC Name2-(3-cyclopropylphenyl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine
SMILESCC1CN(C(CN)c2cccc(C3CC3)c2)CC(C)S1
InChIInChI=1S/C17H26N2S/c1-12-10-19(11-13(2)20-12)17(9-18)16-5-3-4-15(8-16)14-6-7-14/h3-5,8,12-14,17H,6-7,9-11,18H2,1-2H3
InChIKeyDWHZWZNTMARFIU-UHFFFAOYSA-N
XLogP3.39
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-cyclopropylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 79984630
2-(3-cyclopropylphenyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanamine
CID 79969075
1-(3-cyclopropylphenyl)-N,N-dimethylethane-1,2-diamine
CID 79984483
2-(4-chlorothiophen-2-yl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine
CID 79426852
2-(5-chloro-2-fluorophenyl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine
CID 114843214
2-(3-bromophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine
CID 103531005
2-(3,4-dimethylpyrrolidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 79188682
2-(2-chloro-6-methoxyphenyl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine
CID 104816353
2-(3-fluorophenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 16793952
(2S)-2-(3-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 93489665
2-(3,4-dimethylpyrrolidin-1-yl)-2-[3-(methoxymethyl)phenyl]ethanamine
CID 79188956
2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-phenylethanamine
CID 16642936

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropylphenyl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine?
The IUPAC name of 2-(3-cyclopropylphenyl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine (CID 79983806) is 2-(3-cyclopropylphenyl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine.
What is the SMILES notation for 2-(3-cyclopropylphenyl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine?
The canonical SMILES for 2-(3-cyclopropylphenyl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine is CC1CN(C(CN)c2cccc(C3CC3)c2)CC(C)S1.
What is the InChIKey of 2-(3-cyclopropylphenyl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine?
The InChIKey is DWHZWZNTMARFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2S/c1-12-10-19(11-13(2)20-12)17(9-18)16-5-3-4-15(8-16)14-6-7-14/h3-5,8,12-14,17H,6-7,9-11,18H2,1-2H3.
What are the key properties of 2-(3-cyclopropylphenyl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine?
2-(3-cyclopropylphenyl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine has a molecular weight of 290.48 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropylphenyl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine is sourced from PubChem (CID 79983806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).