N-[(3-fluoro-5-methylphenyl)-(4-methylthiomorpholin-3-yl)methyl]ethanamine

C15H23FN2S — CID 106445193

IUPACN-[(3-fluoro-5-methylphenyl)-(4-methylthiomorpholin-3-yl)methyl]ethanamine
SMILESCCNC(c1cc(C)cc(F)c1)C1CSCCN1C
InChIInChI=1S/C15H23FN2S/c1-4-17-15(14-10-19-6-5-18(14)3)12-7-11(2)8-13(16)9-12/h7-9,14-15,17H,4-6,10H2,1-3H3
InChIKeyJWROVPGVWXYHDE-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.83
Rot. Bonds4

About N-[(3-fluoro-5-methylphenyl)-(4-methylthiomorpholin-3-yl)methyl]ethanamine

N-[(3-fluoro-5-methylphenyl)-(4-methylthiomorpholin-3-yl)methyl]ethanamine (PubChem CID 106445193) has the molecular formula C15H23FN2S and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[(3-fluoro-5-methylphenyl)-(4-methylthiomorpholin-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-fluoro-5-methylphenyl)-(4-methylthiomorpholin-3-yl)methyl]ethanamine
PubChem CID106445193
Molecular FormulaC15H23FN2S
Molecular Weight282.43 g/mol
Exact Mass282.16
IUPAC NameN-[(3-fluoro-5-methylphenyl)-(4-methylthiomorpholin-3-yl)methyl]ethanamine
SMILESCCNC(c1cc(C)cc(F)c1)C1CSCCN1C
InChIInChI=1S/C15H23FN2S/c1-4-17-15(14-10-19-6-5-18(14)3)12-7-11(2)8-13(16)9-12/h7-9,14-15,17H,4-6,10H2,1-3H3
InChIKeyJWROVPGVWXYHDE-UHFFFAOYSA-N
XLogP2.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluoro-5-methylphenyl)-(4-methylthiomorpholin-3-yl)methyl]propan-1-amine
CID 106445479
1-(3,5-dimethylphenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine
CID 106444784
(3,5-difluorophenyl)-(4-methylthiomorpholin-3-yl)methanol
CID 103595528
N-[(4-methylthiomorpholin-3-yl)-quinolin-3-ylmethyl]ethanamine
CID 106445061
N-[(2,5-dichlorophenyl)-(4-methylthiomorpholin-3-yl)methyl]ethanamine
CID 106444998
N-[(3-fluoro-5-methylphenyl)-(3-methyl-1,4-dithian-2-yl)methyl]ethanamine
CID 115387225
N-[cyclopentyl-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 79704680
N-[(3-chloro-4-methylphenyl)-(4-methylthiomorpholin-3-yl)methyl]propan-1-amine
CID 107560838
N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 79703599
N-[(4-methylthiomorpholin-3-yl)-(3-propylphenyl)methyl]propan-1-amine
CID 106445558
[(5-methyl-3-pyridinyl)-(4-methylthiomorpholin-3-yl)methyl]hydrazine
CID 106446255
N-[(4-methylthiomorpholin-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 106445421

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-5-methylphenyl)-(4-methylthiomorpholin-3-yl)methyl]ethanamine?
The IUPAC name of N-[(3-fluoro-5-methylphenyl)-(4-methylthiomorpholin-3-yl)methyl]ethanamine (CID 106445193) is N-[(3-fluoro-5-methylphenyl)-(4-methylthiomorpholin-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-fluoro-5-methylphenyl)-(4-methylthiomorpholin-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-fluoro-5-methylphenyl)-(4-methylthiomorpholin-3-yl)methyl]ethanamine is CCNC(c1cc(C)cc(F)c1)C1CSCCN1C.
What is the InChIKey of N-[(3-fluoro-5-methylphenyl)-(4-methylthiomorpholin-3-yl)methyl]ethanamine?
The InChIKey is JWROVPGVWXYHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2S/c1-4-17-15(14-10-19-6-5-18(14)3)12-7-11(2)8-13(16)9-12/h7-9,14-15,17H,4-6,10H2,1-3H3.
What are the key properties of N-[(3-fluoro-5-methylphenyl)-(4-methylthiomorpholin-3-yl)methyl]ethanamine?
N-[(3-fluoro-5-methylphenyl)-(4-methylthiomorpholin-3-yl)methyl]ethanamine has a molecular weight of 282.43 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-5-methylphenyl)-(4-methylthiomorpholin-3-yl)methyl]ethanamine is sourced from PubChem (CID 106445193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).