N-(4-methylphenyl)-1-morpholin-4-yl-1-thiophen-2-ylmethanimine

C16H18N2OS — CID 645571

IUPACN-(4-methylphenyl)-1-morpholin-4-yl-1-thiophen-2-ylmethanimine
SMILESCc1ccc(/N=C(/c2cccs2)N2CCOCC2)cc1
InChIInChI=1S/C16H18N2OS/c1-13-4-6-14(7-5-13)17-16(15-3-2-12-20-15)18-8-10-19-11-9-18/h2-7,12H,8-11H2,1H3/b17-16-
InChIKeyHKAYRYPFJJPXFO-MSUUIHNZSA-N
MW286.40 g/mol
LogP3.47
Rot. Bonds2

About N-(4-methylphenyl)-1-morpholin-4-yl-1-thiophen-2-ylmethanimine

N-(4-methylphenyl)-1-morpholin-4-yl-1-thiophen-2-ylmethanimine (PubChem CID 645571) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(4-methylphenyl)-1-morpholin-4-yl-1-thiophen-2-ylmethanimine.

Molecular Properties

Compound NameN-(4-methylphenyl)-1-morpholin-4-yl-1-thiophen-2-ylmethanimine
PubChem CID645571
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC NameN-(4-methylphenyl)-1-morpholin-4-yl-1-thiophen-2-ylmethanimine
SMILESCc1ccc(/N=C(/c2cccs2)N2CCOCC2)cc1
InChIInChI=1S/C16H18N2OS/c1-13-4-6-14(7-5-13)17-16(15-3-2-12-20-15)18-8-10-19-11-9-18/h2-7,12H,8-11H2,1H3/b17-16-
InChIKeyHKAYRYPFJJPXFO-MSUUIHNZSA-N
XLogP3.47
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(4-methylphenyl)-1,2-dimorpholin-4-ylethane-1,2-diimine
CID 1020625
4-(1-thiophen-2-ylethenyl)morpholine
CID 11074319
N-hydroxy-N'-(4-methylphenyl)thiophene-2-carboximidamide
CID 611980
N-[N-(methylcarbamoyl)-C-morpholin-4-ylcarbonimidoyl]thiophene-2-carboxamide
CID 5174655
N'-(4-methylphenyl)-N-(1-methyl-2-pyridinylidene)morpholine-4-carboximidamide;hydroiodide
CID 70512126
1-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione
CID 55470357
[1-(morpholine-4-carbonyl)piperidin-4-yl]-thiophen-2-ylmethanone
CID 110394387
3-morpholin-4-yl-1-thiophen-2-ylpropan-1-one;hydrochloride
CID 3022656
(4-methylphenyl)-morpholin-4-ylmethaneselone
CID 4294133
ethane;(4-methylphenyl)-[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazene
CID 157373423
2-chloro-1-morpholin-4-yl-2-thiophen-2-ylethanone
CID 62225934
N-[4-(morpholine-4-carbonyl)phenyl]thiophene-2-carboxamide
CID 653867

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-1-morpholin-4-yl-1-thiophen-2-ylmethanimine?
The IUPAC name of N-(4-methylphenyl)-1-morpholin-4-yl-1-thiophen-2-ylmethanimine (CID 645571) is N-(4-methylphenyl)-1-morpholin-4-yl-1-thiophen-2-ylmethanimine.
What is the SMILES notation for N-(4-methylphenyl)-1-morpholin-4-yl-1-thiophen-2-ylmethanimine?
The canonical SMILES for N-(4-methylphenyl)-1-morpholin-4-yl-1-thiophen-2-ylmethanimine is Cc1ccc(/N=C(/c2cccs2)N2CCOCC2)cc1.
What is the InChIKey of N-(4-methylphenyl)-1-morpholin-4-yl-1-thiophen-2-ylmethanimine?
The InChIKey is HKAYRYPFJJPXFO-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-13-4-6-14(7-5-13)17-16(15-3-2-12-20-15)18-8-10-19-11-9-18/h2-7,12H,8-11H2,1H3/b17-16-.
What are the key properties of N-(4-methylphenyl)-1-morpholin-4-yl-1-thiophen-2-ylmethanimine?
N-(4-methylphenyl)-1-morpholin-4-yl-1-thiophen-2-ylmethanimine has a molecular weight of 286.40 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-1-morpholin-4-yl-1-thiophen-2-ylmethanimine is sourced from PubChem (CID 645571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).