N-[(2,5-dichlorophenyl)-(4-methylthiomorpholin-3-yl)methyl]ethanamine

C14H20Cl2N2S — CID 106444998

IUPACN-[(2,5-dichlorophenyl)-(4-methylthiomorpholin-3-yl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)ccc1Cl)C1CSCCN1C
InChIInChI=1S/C14H20Cl2N2S/c1-3-17-14(13-9-19-7-6-18(13)2)11-8-10(15)4-5-12(11)16/h4-5,8,13-14,17H,3,6-7,9H2,1-2H3
InChIKeyKRFRORWLUSBYFF-UHFFFAOYSA-N
MW319.30 g/mol
LogP3.69
Rot. Bonds4

About N-[(2,5-dichlorophenyl)-(4-methylthiomorpholin-3-yl)methyl]ethanamine

N-[(2,5-dichlorophenyl)-(4-methylthiomorpholin-3-yl)methyl]ethanamine (PubChem CID 106444998) has the molecular formula C14H20Cl2N2S and a molecular weight of 319.30 g/mol. Its IUPAC name is N-[(2,5-dichlorophenyl)-(4-methylthiomorpholin-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-dichlorophenyl)-(4-methylthiomorpholin-3-yl)methyl]ethanamine
PubChem CID106444998
Molecular FormulaC14H20Cl2N2S
Molecular Weight319.30 g/mol
Exact Mass318.07
IUPAC NameN-[(2,5-dichlorophenyl)-(4-methylthiomorpholin-3-yl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)ccc1Cl)C1CSCCN1C
InChIInChI=1S/C14H20Cl2N2S/c1-3-17-14(13-9-19-7-6-18(13)2)11-8-10(15)4-5-12(11)16/h4-5,8,13-14,17H,3,6-7,9H2,1-2H3
InChIKeyKRFRORWLUSBYFF-UHFFFAOYSA-N
XLogP3.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.30
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dichlorophenyl)-N-ethyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106445261
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106445174
N-[(3-chloro-4-methylphenyl)-(4-methylthiomorpholin-3-yl)methyl]propan-1-amine
CID 107560838
N-[(3-fluoro-5-methylphenyl)-(4-methylthiomorpholin-3-yl)methyl]ethanamine
CID 106445193
N-[isoquinolin-5-yl-(4-methylthiomorpholin-3-yl)methyl]ethanamine
CID 106445253
N-[cyclohexyl-(2,5-dichlorophenyl)methyl]ethanamine
CID 43492976
2-(5-chloro-2-fluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106444713
N-[(4-methylthiomorpholin-3-yl)-quinolin-3-ylmethyl]ethanamine
CID 106445061
2-(2-chloro-5-fluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106444833
N-[(2,5-dichlorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 61276511
[2-(2-chloro-5-fluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine
CID 106446395
2-(3,4-dimethylphenyl)-N-ethyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106445245

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorophenyl)-(4-methylthiomorpholin-3-yl)methyl]ethanamine?
The IUPAC name of N-[(2,5-dichlorophenyl)-(4-methylthiomorpholin-3-yl)methyl]ethanamine (CID 106444998) is N-[(2,5-dichlorophenyl)-(4-methylthiomorpholin-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,5-dichlorophenyl)-(4-methylthiomorpholin-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,5-dichlorophenyl)-(4-methylthiomorpholin-3-yl)methyl]ethanamine is CCNC(c1cc(Cl)ccc1Cl)C1CSCCN1C.
What is the InChIKey of N-[(2,5-dichlorophenyl)-(4-methylthiomorpholin-3-yl)methyl]ethanamine?
The InChIKey is KRFRORWLUSBYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2S/c1-3-17-14(13-9-19-7-6-18(13)2)11-8-10(15)4-5-12(11)16/h4-5,8,13-14,17H,3,6-7,9H2,1-2H3.
What are the key properties of N-[(2,5-dichlorophenyl)-(4-methylthiomorpholin-3-yl)methyl]ethanamine?
N-[(2,5-dichlorophenyl)-(4-methylthiomorpholin-3-yl)methyl]ethanamine has a molecular weight of 319.30 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichlorophenyl)-(4-methylthiomorpholin-3-yl)methyl]ethanamine is sourced from PubChem (CID 106444998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).