N-[2-(3-methylphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine

C17H28N2S — CID 106445416

IUPACN-[2-(3-methylphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(C)c1)C1CSCCN1C
InChIInChI=1S/C17H28N2S/c1-4-8-18-16(17-13-20-10-9-19(17)3)12-15-7-5-6-14(2)11-15/h5-7,11,16-18H,4,8-10,12-13H2,1-3H3
InChIKeyKEOPFWNJSVYCDT-UHFFFAOYSA-N
MW292.49 g/mol
LogP2.95
Rot. Bonds6

About N-[2-(3-methylphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine

N-[2-(3-methylphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine (PubChem CID 106445416) has the molecular formula C17H28N2S and a molecular weight of 292.49 g/mol. Its IUPAC name is N-[2-(3-methylphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-methylphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine
PubChem CID106445416
Molecular FormulaC17H28N2S
Molecular Weight292.49 g/mol
Exact Mass292.20
IUPAC NameN-[2-(3-methylphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(C)c1)C1CSCCN1C
InChIInChI=1S/C17H28N2S/c1-4-8-18-16(17-13-20-10-9-19(17)3)12-15-7-5-6-14(2)11-15/h5-7,11,16-18H,4,8-10,12-13H2,1-3H3
InChIKeyKEOPFWNJSVYCDT-UHFFFAOYSA-N
XLogP2.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methylthiomorpholin-3-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 106445504
4-[2-(4-methylthiomorpholin-3-yl)-2-(propylamino)ethyl]pyridin-2-amine
CID 106445474
N-[2-(2,6-difluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine
CID 106445518
2-(3,4-dimethylphenyl)-N-ethyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106445245
N-[2-(2-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine
CID 106445493
N-[(4-methylthiomorpholin-3-yl)-(3-propylphenyl)methyl]propan-1-amine
CID 106445558
2-(3,4-dichlorophenyl)-N-ethyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106445261
N-[2-(5-chlorothiophen-2-yl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine
CID 106445375
N-[1-(3-methyl-1,4-dithian-2-yl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 115387442
[1-(4-methylthiomorpholin-3-yl)-2-phenylethyl]hydrazine
CID 106446350
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106445174
N-[1-(4-methylthiomorpholin-3-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 106445389

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(3-methylphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine (CID 106445416) is N-[2-(3-methylphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3-methylphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(3-methylphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine is CCCNC(Cc1cccc(C)c1)C1CSCCN1C.
What is the InChIKey of N-[2-(3-methylphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine?
The InChIKey is KEOPFWNJSVYCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2S/c1-4-8-18-16(17-13-20-10-9-19(17)3)12-15-7-5-6-14(2)11-15/h5-7,11,16-18H,4,8-10,12-13H2,1-3H3.
What are the key properties of N-[2-(3-methylphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine?
N-[2-(3-methylphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine has a molecular weight of 292.49 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 106445416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).