1-[(4-morpholin-4-ylphenyl)methylamino]-2-thiophen-2-ylpropan-2-ol

C18H24N2O2S — CID 111440525

IUPAC1-[(4-morpholin-4-ylphenyl)methylamino]-2-thiophen-2-ylpropan-2-ol
SMILESCC(O)(CNCc1ccc(N2CCOCC2)cc1)c1cccs1
InChIInChI=1S/C18H24N2O2S/c1-18(21,17-3-2-12-23-17)14-19-13-15-4-6-16(7-5-15)20-8-10-22-11-9-20/h2-7,12,19,21H,8-11,13-14H2,1H3
InChIKeyPEZSEDYMHRKAPP-UHFFFAOYSA-N
MW332.47 g/mol
LogP2.58
Rot. Bonds6

About 1-[(4-morpholin-4-ylphenyl)methylamino]-2-thiophen-2-ylpropan-2-ol

1-[(4-morpholin-4-ylphenyl)methylamino]-2-thiophen-2-ylpropan-2-ol (PubChem CID 111440525) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is 1-[(4-morpholin-4-ylphenyl)methylamino]-2-thiophen-2-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(4-morpholin-4-ylphenyl)methylamino]-2-thiophen-2-ylpropan-2-ol
PubChem CID111440525
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC Name1-[(4-morpholin-4-ylphenyl)methylamino]-2-thiophen-2-ylpropan-2-ol
SMILESCC(O)(CNCc1ccc(N2CCOCC2)cc1)c1cccs1
InChIInChI=1S/C18H24N2O2S/c1-18(21,17-3-2-12-23-17)14-19-13-15-4-6-16(7-5-15)20-8-10-22-11-9-20/h2-7,12,19,21H,8-11,13-14H2,1H3
InChIKeyPEZSEDYMHRKAPP-UHFFFAOYSA-N
XLogP2.58
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 1-[(4-morpholin-4-ylphenyl)methylamino]-2-thiophen-2-ylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-dimethyl-4-[(4-morpholin-4-ylphenyl)methylamino]butan-1-ol
CID 103708001
N'-(2-hydroxy-2-thiophen-2-ylpropyl)-N-(2-morpholin-4-ylethyl)oxamide
CID 90499911
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-morpholin-4-ylbenzamide
CID 71985097
1-[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]-2-thiophen-2-ylpropan-2-ol
CID 111440570
2-(furan-2-yl)-1-[(4-piperidin-1-ylphenyl)methylamino]propan-2-ol
CID 111468727
1-(4-morpholin-4-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 115732148
1-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]-2-phenylpropan-2-ol
CID 111334317
1-[(3-ethoxy-4-methoxyphenyl)methylamino]-2-thiophen-2-ylpropan-2-ol
CID 111440651
N-[(4-morpholin-4-ylphenyl)methyl]but-2-yn-1-amine
CID 113342036
3-methyl-1-[(4-morpholin-4-ylphenyl)methylamino]butan-2-ol
CID 111422027
N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-2-thiophen-2-ylethanamine
CID 112722085
1-[4-[(2,2-dimethylpropylamino)methyl]phenyl]piperidin-4-ol
CID 126825509

Frequently Asked Questions

What is the IUPAC name of 1-[(4-morpholin-4-ylphenyl)methylamino]-2-thiophen-2-ylpropan-2-ol?
The IUPAC name of 1-[(4-morpholin-4-ylphenyl)methylamino]-2-thiophen-2-ylpropan-2-ol (CID 111440525) is 1-[(4-morpholin-4-ylphenyl)methylamino]-2-thiophen-2-ylpropan-2-ol.
What is the SMILES notation for 1-[(4-morpholin-4-ylphenyl)methylamino]-2-thiophen-2-ylpropan-2-ol?
The canonical SMILES for 1-[(4-morpholin-4-ylphenyl)methylamino]-2-thiophen-2-ylpropan-2-ol is CC(O)(CNCc1ccc(N2CCOCC2)cc1)c1cccs1.
What is the InChIKey of 1-[(4-morpholin-4-ylphenyl)methylamino]-2-thiophen-2-ylpropan-2-ol?
The InChIKey is PEZSEDYMHRKAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-18(21,17-3-2-12-23-17)14-19-13-15-4-6-16(7-5-15)20-8-10-22-11-9-20/h2-7,12,19,21H,8-11,13-14H2,1H3.
What are the key properties of 1-[(4-morpholin-4-ylphenyl)methylamino]-2-thiophen-2-ylpropan-2-ol?
1-[(4-morpholin-4-ylphenyl)methylamino]-2-thiophen-2-ylpropan-2-ol has a molecular weight of 332.47 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-morpholin-4-ylphenyl)methylamino]-2-thiophen-2-ylpropan-2-ol is sourced from PubChem (CID 111440525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).