2-(4-chloro-2-fluorophenyl)-2-(2-methylthiomorpholin-4-yl)ethanamine

C13H18ClFN2S — CID 114843418

IUPAC2-(4-chloro-2-fluorophenyl)-2-(2-methylthiomorpholin-4-yl)ethanamine
SMILESCC1CN(C(CN)c2ccc(Cl)cc2F)CCS1
InChIInChI=1S/C13H18ClFN2S/c1-9-8-17(4-5-18-9)13(7-16)11-3-2-10(14)6-12(11)15/h2-3,6,9,13H,4-5,7-8,16H2,1H3
InChIKeyNRNOVWWHBOPXMI-UHFFFAOYSA-N
MW288.82 g/mol
LogP2.92
Rot. Bonds3

About 2-(4-chloro-2-fluorophenyl)-2-(2-methylthiomorpholin-4-yl)ethanamine

2-(4-chloro-2-fluorophenyl)-2-(2-methylthiomorpholin-4-yl)ethanamine (PubChem CID 114843418) has the molecular formula C13H18ClFN2S and a molecular weight of 288.82 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-2-(2-methylthiomorpholin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-2-(2-methylthiomorpholin-4-yl)ethanamine
PubChem CID114843418
Molecular FormulaC13H18ClFN2S
Molecular Weight288.82 g/mol
Exact Mass288.09
IUPAC Name2-(4-chloro-2-fluorophenyl)-2-(2-methylthiomorpholin-4-yl)ethanamine
SMILESCC1CN(C(CN)c2ccc(Cl)cc2F)CCS1
InChIInChI=1S/C13H18ClFN2S/c1-9-8-17(4-5-18-9)13(7-16)11-3-2-10(14)6-12(11)15/h2-3,6,9,13H,4-5,7-8,16H2,1H3
InChIKeyNRNOVWWHBOPXMI-UHFFFAOYSA-N
XLogP2.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-chloro-2-fluorophenyl)-2-(2-methylthiomorpholin-4-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chloro-2-fluorophenyl)-2-(3,4-dimethylpiperidin-1-yl)ethanamine
CID 114843422
2-(4-chloro-2-fluorophenyl)-2-pyrrolidin-1-ylethanamine
CID 114842786
2-(4-chloro-2-fluorophenyl)-2-(7,7-dimethyl-1,4-thiazepan-4-yl)ethanamine
CID 107454238
2-(5-chloro-2-fluorophenyl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine
CID 114843214
2-(4-chloro-2-fluorophenyl)-2-(3-propylpyrrolidin-1-yl)ethanamine
CID 114843397
2-(azocan-1-yl)-2-(4-chloro-2-fluorophenyl)ethanamine
CID 114842840
2-(3-bromo-4-methylphenyl)-2-(2-methylthiomorpholin-4-yl)ethanamine
CID 105405193
2-(4-chloro-2-fluorophenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 114843208
2-(5-chloro-2-fluorophenyl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanamine
CID 114843181
(2S)-2-(2,4-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
CID 124552543
2-(2-methylquinolin-6-yl)-2-(2-methylthiomorpholin-4-yl)ethanamine
CID 105378848
2-(5-chloro-2-fluorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
CID 114843183

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-2-(2-methylthiomorpholin-4-yl)ethanamine?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-2-(2-methylthiomorpholin-4-yl)ethanamine (CID 114843418) is 2-(4-chloro-2-fluorophenyl)-2-(2-methylthiomorpholin-4-yl)ethanamine.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-2-(2-methylthiomorpholin-4-yl)ethanamine?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-2-(2-methylthiomorpholin-4-yl)ethanamine is CC1CN(C(CN)c2ccc(Cl)cc2F)CCS1.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-2-(2-methylthiomorpholin-4-yl)ethanamine?
The InChIKey is NRNOVWWHBOPXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2S/c1-9-8-17(4-5-18-9)13(7-16)11-3-2-10(14)6-12(11)15/h2-3,6,9,13H,4-5,7-8,16H2,1H3.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-2-(2-methylthiomorpholin-4-yl)ethanamine?
2-(4-chloro-2-fluorophenyl)-2-(2-methylthiomorpholin-4-yl)ethanamine has a molecular weight of 288.82 g/mol, XLogP of 2.92, 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-fluorophenyl)-2-(2-methylthiomorpholin-4-yl)ethanamine is sourced from PubChem (CID 114843418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).