N-[(4-methylthiomorpholin-3-yl)-(3-propylphenyl)methyl]propan-1-amine

C18H30N2S — CID 106445558

IUPACN-[(4-methylthiomorpholin-3-yl)-(3-propylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(CCC)c1)C1CSCCN1C
InChIInChI=1S/C18H30N2S/c1-4-7-15-8-6-9-16(13-15)18(19-10-5-2)17-14-21-12-11-20(17)3/h6,8-9,13,17-19H,4-5,7,10-12,14H2,1-3H3
InChIKeyFOXWPLSIRMOESG-UHFFFAOYSA-N
MW306.52 g/mol
LogP3.73
Rot. Bonds7

About N-[(4-methylthiomorpholin-3-yl)-(3-propylphenyl)methyl]propan-1-amine

N-[(4-methylthiomorpholin-3-yl)-(3-propylphenyl)methyl]propan-1-amine (PubChem CID 106445558) has the molecular formula C18H30N2S and a molecular weight of 306.52 g/mol. Its IUPAC name is N-[(4-methylthiomorpholin-3-yl)-(3-propylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-methylthiomorpholin-3-yl)-(3-propylphenyl)methyl]propan-1-amine
PubChem CID106445558
Molecular FormulaC18H30N2S
Molecular Weight306.52 g/mol
Exact Mass306.21
IUPAC NameN-[(4-methylthiomorpholin-3-yl)-(3-propylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(CCC)c1)C1CSCCN1C
InChIInChI=1S/C18H30N2S/c1-4-7-15-8-6-9-16(13-15)18(19-10-5-2)17-14-21-12-11-20(17)3/h6,8-9,13,17-19H,4-5,7,10-12,14H2,1-3H3
InChIKeyFOXWPLSIRMOESG-UHFFFAOYSA-N
XLogP3.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.52
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chloro-4-methylphenyl)-(4-methylthiomorpholin-3-yl)methyl]propan-1-amine
CID 107560838
N-[(4-methylthiomorpholin-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 106445421
N-[(3-fluoro-5-methylphenyl)-(4-methylthiomorpholin-3-yl)methyl]propan-1-amine
CID 106445479
N-[2-(3-methylphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine
CID 106445416
[(4-methylthiomorpholin-3-yl)-(4-propylphenyl)methyl]hydrazine
CID 106446359
N-[3-bicyclo[3.1.0]hexanyl-(3-propylphenyl)methyl]propan-1-amine
CID 105050218
N-[(2-fluoro-3-methoxyphenyl)-(4-methylthiomorpholin-3-yl)methyl]propan-1-amine
CID 106445454
N-[(3-ethylphenyl)-(thiolan-3-yl)methyl]propan-1-amine
CID 105171150
N-[2-(2,6-difluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine
CID 106445518
[(1,4-dimethylpiperazin-2-yl)-(3-propylphenyl)methyl]hydrazine
CID 105247381
N-[(4-methylthiomorpholin-3-yl)-pyrazin-2-ylmethyl]propan-1-amine
CID 106445473
N-[[3-(2-methylpropyl)phenyl]-(thiolan-3-yl)methyl]propan-1-amine
CID 105188104

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylthiomorpholin-3-yl)-(3-propylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-methylthiomorpholin-3-yl)-(3-propylphenyl)methyl]propan-1-amine (CID 106445558) is N-[(4-methylthiomorpholin-3-yl)-(3-propylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-methylthiomorpholin-3-yl)-(3-propylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-methylthiomorpholin-3-yl)-(3-propylphenyl)methyl]propan-1-amine is CCCNC(c1cccc(CCC)c1)C1CSCCN1C.
What is the InChIKey of N-[(4-methylthiomorpholin-3-yl)-(3-propylphenyl)methyl]propan-1-amine?
The InChIKey is FOXWPLSIRMOESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2S/c1-4-7-15-8-6-9-16(13-15)18(19-10-5-2)17-14-21-12-11-20(17)3/h6,8-9,13,17-19H,4-5,7,10-12,14H2,1-3H3.
What are the key properties of N-[(4-methylthiomorpholin-3-yl)-(3-propylphenyl)methyl]propan-1-amine?
N-[(4-methylthiomorpholin-3-yl)-(3-propylphenyl)methyl]propan-1-amine has a molecular weight of 306.52 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylthiomorpholin-3-yl)-(3-propylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 106445558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).