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

C11H19NOS — CID 81414185

IUPAC2,2-dimethyl-3-(1-thiophen-2-ylethylamino)propan-1-ol
SMILESCC(NCC(C)(C)CO)c1cccs1
InChIInChI=1S/C11H19NOS/c1-9(10-5-4-6-14-10)12-7-11(2,3)8-13/h4-6,9,12-13H,7-8H2,1-3H3
InChIKeySKNSUTGYNZKNNI-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.42
Rot. Bonds5

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

2,2-dimethyl-3-(1-thiophen-2-ylethylamino)propan-1-ol (PubChem CID 81414185) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is 2,2-dimethyl-3-(1-thiophen-2-ylethylamino)propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-(1-thiophen-2-ylethylamino)propan-1-ol
PubChem CID81414185
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name2,2-dimethyl-3-(1-thiophen-2-ylethylamino)propan-1-ol
SMILESCC(NCC(C)(C)CO)c1cccs1
InChIInChI=1S/C11H19NOS/c1-9(10-5-4-6-14-10)12-7-11(2,3)8-13/h4-6,9,12-13H,7-8H2,1-3H3
InChIKeySKNSUTGYNZKNNI-UHFFFAOYSA-N
XLogP2.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]propan-1-ol
CID 81411730
3-(dithiophen-2-ylmethylamino)-2,2-dimethylpropan-1-ol
CID 115359283
2,2-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398287
2-hydroxy-2-methyl-3-(1-thiophen-2-ylethylamino)propanoic acid
CID 104643956
3-[1-(5-bromothiophen-2-yl)ethylamino]-2,2-dimethylpropan-1-ol
CID 115359127
2-(1-thiophen-2-ylethylamino)ethanol
CID 43151185
N,2,2-trimethyl-3-(1-thiophen-2-ylethylamino)propanamide
CID 104536070
3,3-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]butan-1-amine
CID 81398667
N-[2-methyl-1-(1-thiophen-2-ylethylamino)propan-2-yl]methanesulfonamide
CID 63865129
(2R)-1-[[(1R)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 93082161
3-(1-thiophen-2-ylethylamino)propane-1,2-diol
CID 60908559
2,2-difluoro-2-phenyl-N-[(1S)-1-thiophen-2-ylethyl]ethanamine
CID 104893383

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(1-thiophen-2-ylethylamino)propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-(1-thiophen-2-ylethylamino)propan-1-ol (CID 81414185) is 2,2-dimethyl-3-(1-thiophen-2-ylethylamino)propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-(1-thiophen-2-ylethylamino)propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-(1-thiophen-2-ylethylamino)propan-1-ol is CC(NCC(C)(C)CO)c1cccs1.
What is the InChIKey of 2,2-dimethyl-3-(1-thiophen-2-ylethylamino)propan-1-ol?
The InChIKey is SKNSUTGYNZKNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-9(10-5-4-6-14-10)12-7-11(2,3)8-13/h4-6,9,12-13H,7-8H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-(1-thiophen-2-ylethylamino)propan-1-ol?
2,2-dimethyl-3-(1-thiophen-2-ylethylamino)propan-1-ol has a molecular weight of 213.35 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(1-thiophen-2-ylethylamino)propan-1-ol is sourced from PubChem (CID 81414185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).