2,2-dimethyl-3-(2-thiophen-3-ylethylamino)propan-1-ol

C11H19NOS — CID 81410840

IUPAC2,2-dimethyl-3-(2-thiophen-3-ylethylamino)propan-1-ol
SMILESCC(C)(CO)CNCCc1ccsc1
InChIInChI=1S/C11H19NOS/c1-11(2,9-13)8-12-5-3-10-4-6-14-7-10/h4,6-7,12-13H,3,5,8-9H2,1-2H3
InChIKeyIIJUPMNXVRUIPQ-UHFFFAOYSA-N
MW213.35 g/mol
LogP1.90
Rot. Bonds6

About 2,2-dimethyl-3-(2-thiophen-3-ylethylamino)propan-1-ol

2,2-dimethyl-3-(2-thiophen-3-ylethylamino)propan-1-ol (PubChem CID 81410840) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-thiophen-3-ylethylamino)propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-thiophen-3-ylethylamino)propan-1-ol
PubChem CID81410840
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name2,2-dimethyl-3-(2-thiophen-3-ylethylamino)propan-1-ol
SMILESCC(C)(CO)CNCCc1ccsc1
InChIInChI=1S/C11H19NOS/c1-11(2,9-13)8-12-5-3-10-4-6-14-7-10/h4,6-7,12-13H,3,5,8-9H2,1-2H3
InChIKeyIIJUPMNXVRUIPQ-UHFFFAOYSA-N
XLogP1.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-3-(2-thiophen-3-ylethylamino)propan-1-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-(2-thiophen-3-ylethylamino)butan-1-ol
CID 106146521
3-[2-(4-chlorophenyl)ethylamino]-2,2-dimethylpropan-1-ol
CID 81414344
2-(hydroxymethyl)-2-(2-thiophen-3-ylethylamino)propane-1,3-diol
CID 107852268
2,2-dimethyl-3-[2-[4-(2-methylpropyl)phenyl]ethylamino]propan-1-ol
CID 115135445
2-methyl-1-(propylamino)-4-thiophen-3-ylbutan-2-ol
CID 66038426
(2S)-3-(2-thiophen-3-ylethylamino)propane-1,2-diol
CID 61474151
N-(2-thiophen-3-ylethyl)butan-1-amine
CID 60751767
3-[2-(4-ethylsulfanylphenyl)ethylamino]-2,2-dimethylpropan-1-ol
CID 115135480
N-(2-thiophen-3-ylethyl)decan-1-amine
CID 55194660
2-methyl-N-(2-thiophen-3-ylethyl)butan-1-amine
CID 61474890
4-methyl-1-(2-thiophen-3-ylethylamino)pentan-2-ol
CID 107152319
3,3-dimethyl-N-propyl-5-thiophen-3-ylpentan-1-amine
CID 81022227

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-thiophen-3-ylethylamino)propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-(2-thiophen-3-ylethylamino)propan-1-ol (CID 81410840) is 2,2-dimethyl-3-(2-thiophen-3-ylethylamino)propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-(2-thiophen-3-ylethylamino)propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-(2-thiophen-3-ylethylamino)propan-1-ol is CC(C)(CO)CNCCc1ccsc1.
What is the InChIKey of 2,2-dimethyl-3-(2-thiophen-3-ylethylamino)propan-1-ol?
The InChIKey is IIJUPMNXVRUIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-11(2,9-13)8-12-5-3-10-4-6-14-7-10/h4,6-7,12-13H,3,5,8-9H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-(2-thiophen-3-ylethylamino)propan-1-ol?
2,2-dimethyl-3-(2-thiophen-3-ylethylamino)propan-1-ol has a molecular weight of 213.35 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-thiophen-3-ylethylamino)propan-1-ol is sourced from PubChem (CID 81410840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).