2-[4-chloro-2-(2,6-dimethylthiomorpholin-4-yl)phenyl]ethanamine

C14H21ClN2S — CID 114861712

IUPAC2-[4-chloro-2-(2,6-dimethylthiomorpholin-4-yl)phenyl]ethanamine
SMILESCC1CN(c2cc(Cl)ccc2CCN)CC(C)S1
InChIInChI=1S/C14H21ClN2S/c1-10-8-17(9-11(2)18-10)14-7-13(15)4-3-12(14)5-6-16/h3-4,7,10-11H,5-6,8-9,16H2,1-2H3
InChIKeyDCBITPIDRGHTIO-UHFFFAOYSA-N
MW284.86 g/mol
LogP3.17
Rot. Bonds3

About 2-[4-chloro-2-(2,6-dimethylthiomorpholin-4-yl)phenyl]ethanamine

2-[4-chloro-2-(2,6-dimethylthiomorpholin-4-yl)phenyl]ethanamine (PubChem CID 114861712) has the molecular formula C14H21ClN2S and a molecular weight of 284.86 g/mol. Its IUPAC name is 2-[4-chloro-2-(2,6-dimethylthiomorpholin-4-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-chloro-2-(2,6-dimethylthiomorpholin-4-yl)phenyl]ethanamine
PubChem CID114861712
Molecular FormulaC14H21ClN2S
Molecular Weight284.86 g/mol
Exact Mass284.11
IUPAC Name2-[4-chloro-2-(2,6-dimethylthiomorpholin-4-yl)phenyl]ethanamine
SMILESCC1CN(c2cc(Cl)ccc2CCN)CC(C)S1
InChIInChI=1S/C14H21ClN2S/c1-10-8-17(9-11(2)18-10)14-7-13(15)4-3-12(14)5-6-16/h3-4,7,10-11H,5-6,8-9,16H2,1-2H3
InChIKeyDCBITPIDRGHTIO-UHFFFAOYSA-N
XLogP3.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.86
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-chloro-2-(2,6-dimethylthiomorpholin-4-yl)phenyl]propan-2-amine
CID 114861717
N-[[4-chloro-2-(2,6-dimethylthiomorpholin-4-yl)phenyl]methyl]propan-1-amine
CID 114851609
4-[4-chloro-2-(chloromethyl)phenyl]-2,6-dimethylthiomorpholine
CID 114846712
2-(4-chloro-2-morpholin-4-ylphenyl)ethanamine
CID 114860184
2-[4-chloro-2-(1,3-dihydroisoindol-2-yl)phenyl]ethanamine
CID 114860770
2-[5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanamine
CID 104980221
2-[4-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanamine
CID 114860944
2-[4-chloro-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)phenyl]ethanamine
CID 114862082
2-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4-chlorophenyl]ethanamine
CID 114861027
2-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-chlorophenyl]ethanamine
CID 114861974
4-[5-chloro-2-(chloromethyl)phenyl]-2,6-dimethylmorpholine
CID 114846280
2-(5-chloro-2-fluorophenyl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine
CID 114843214

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-(2,6-dimethylthiomorpholin-4-yl)phenyl]ethanamine?
The IUPAC name of 2-[4-chloro-2-(2,6-dimethylthiomorpholin-4-yl)phenyl]ethanamine (CID 114861712) is 2-[4-chloro-2-(2,6-dimethylthiomorpholin-4-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[4-chloro-2-(2,6-dimethylthiomorpholin-4-yl)phenyl]ethanamine?
The canonical SMILES for 2-[4-chloro-2-(2,6-dimethylthiomorpholin-4-yl)phenyl]ethanamine is CC1CN(c2cc(Cl)ccc2CCN)CC(C)S1.
What is the InChIKey of 2-[4-chloro-2-(2,6-dimethylthiomorpholin-4-yl)phenyl]ethanamine?
The InChIKey is DCBITPIDRGHTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2S/c1-10-8-17(9-11(2)18-10)14-7-13(15)4-3-12(14)5-6-16/h3-4,7,10-11H,5-6,8-9,16H2,1-2H3.
What are the key properties of 2-[4-chloro-2-(2,6-dimethylthiomorpholin-4-yl)phenyl]ethanamine?
2-[4-chloro-2-(2,6-dimethylthiomorpholin-4-yl)phenyl]ethanamine has a molecular weight of 284.86 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-(2,6-dimethylthiomorpholin-4-yl)phenyl]ethanamine is sourced from PubChem (CID 114861712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).