2-(2-aminophenyl)-1-morpholin-4-ylethanethione

C12H16N2OS — CID 46887261

IUPAC2-(2-aminophenyl)-1-morpholin-4-ylethanethione
SMILESNc1ccccc1CC(=S)N1CCOCC1
InChIInChI=1S/C12H16N2OS/c13-11-4-2-1-3-10(11)9-12(16)14-5-7-15-8-6-14/h1-4H,5-9,13H2
InChIKeyRWALTUQQYZMSMM-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.47
Rot. Bonds2

About 2-(2-aminophenyl)-1-morpholin-4-ylethanethione

2-(2-aminophenyl)-1-morpholin-4-ylethanethione (PubChem CID 46887261) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-(2-aminophenyl)-1-morpholin-4-ylethanethione.

Molecular Properties

Compound Name2-(2-aminophenyl)-1-morpholin-4-ylethanethione
PubChem CID46887261
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name2-(2-aminophenyl)-1-morpholin-4-ylethanethione
SMILESNc1ccccc1CC(=S)N1CCOCC1
InChIInChI=1S/C12H16N2OS/c13-11-4-2-1-3-10(11)9-12(16)14-5-7-15-8-6-14/h1-4H,5-9,13H2
InChIKeyRWALTUQQYZMSMM-UHFFFAOYSA-N
XLogP1.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4-(Morpholinomethyl)aniline
CID 776851
(2-(Morpholin-4-yl)phenyl)methanamine
CID 2776563
4-Morpholinobenzylamine
CID 2776458
N-(2-methylphenyl)morpholine-4-carbothioamide
CID 700015
4-[4-(1-Piperidinylcarbonothioyl)phenyl]morpholine
CID 951939
N-(4-methylphenyl)morpholine-4-sulfonamide
CID 2979005
4-[4-(4-Morpholinylcarbonothioyl)phenyl]morpholine
CID 893573
N-(2,4-dimethylphenyl)morpholine-4-sulfonamide
CID 2987046
(4-(Dimethylamino)phenyl)(morpholino)methanethione
CID 691987
N-(2,3-dimethylphenyl)-4-morpholinecarbothioamide
CID 800110
2-Cyclohex-1-enyl-4-morpholin-4-ylmethyl-phenylamine
CID 58994529
(3-Morpholinophenyl)methylamine
CID 2795550

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-1-morpholin-4-ylethanethione?
The IUPAC name of 2-(2-aminophenyl)-1-morpholin-4-ylethanethione (CID 46887261) is 2-(2-aminophenyl)-1-morpholin-4-ylethanethione.
What is the SMILES notation for 2-(2-aminophenyl)-1-morpholin-4-ylethanethione?
The canonical SMILES for 2-(2-aminophenyl)-1-morpholin-4-ylethanethione is Nc1ccccc1CC(=S)N1CCOCC1.
What is the InChIKey of 2-(2-aminophenyl)-1-morpholin-4-ylethanethione?
The InChIKey is RWALTUQQYZMSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c13-11-4-2-1-3-10(11)9-12(16)14-5-7-15-8-6-14/h1-4H,5-9,13H2.
What are the key properties of 2-(2-aminophenyl)-1-morpholin-4-ylethanethione?
2-(2-aminophenyl)-1-morpholin-4-ylethanethione has a molecular weight of 236.34 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-1-morpholin-4-ylethanethione is sourced from PubChem (CID 46887261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).