2-methyl-4-(2-thiophen-2-ylethylamino)butan-2-ol

C11H19NOS — CID 79361899

IUPAC2-methyl-4-(2-thiophen-2-ylethylamino)butan-2-ol
SMILESCC(C)(O)CCNCCc1cccs1
InChIInChI=1S/C11H19NOS/c1-11(2,13)6-8-12-7-5-10-4-3-9-14-10/h3-4,9,12-13H,5-8H2,1-2H3
InChIKeyOYTDGCQBPKTUPP-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.04
Rot. Bonds6

About 2-methyl-4-(2-thiophen-2-ylethylamino)butan-2-ol

2-methyl-4-(2-thiophen-2-ylethylamino)butan-2-ol (PubChem CID 79361899) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is 2-methyl-4-(2-thiophen-2-ylethylamino)butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-(2-thiophen-2-ylethylamino)butan-2-ol
PubChem CID79361899
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name2-methyl-4-(2-thiophen-2-ylethylamino)butan-2-ol
SMILESCC(C)(O)CCNCCc1cccs1
InChIInChI=1S/C11H19NOS/c1-11(2,13)6-8-12-7-5-10-4-3-9-14-10/h3-4,9,12-13H,5-8H2,1-2H3
InChIKeyOYTDGCQBPKTUPP-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-(thiophen-2-ylmethylamino)butan-2-ol
CID 79359757
3-methyl-1-N-(2-thiophen-2-ylethyl)butane-1,3-diamine
CID 115200758
2,2-dimethyl-4-(2-thiophen-2-ylethylamino)butanenitrile
CID 65248968
2-methyl-6-thiophen-2-ylhexan-2-ol
CID 96656971
1-(dimethylamino)-2-methyl-3-(2-thiophen-2-ylethylamino)propan-2-ol
CID 106147667
2-chloro-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 65024360
N-methyl-N'-(2-thiophen-2-ylethyl)methanediamine
CID 115227113
N-(bromomethyl)-2-thiophen-2-ylethanamine
CID 115262160
methyl 2,2-dimethyl-3-(2-thiophen-2-ylethylamino)propanoate
CID 79629616
1-(2-thiophen-2-ylethylamino)butan-2-ol
CID 13476299
3-methoxy-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 60925441
N-(2-thiophen-2-ylethyl)pent-3-yn-1-amine
CID 104806086

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-thiophen-2-ylethylamino)butan-2-ol?
The IUPAC name of 2-methyl-4-(2-thiophen-2-ylethylamino)butan-2-ol (CID 79361899) is 2-methyl-4-(2-thiophen-2-ylethylamino)butan-2-ol.
What is the SMILES notation for 2-methyl-4-(2-thiophen-2-ylethylamino)butan-2-ol?
The canonical SMILES for 2-methyl-4-(2-thiophen-2-ylethylamino)butan-2-ol is CC(C)(O)CCNCCc1cccs1.
What is the InChIKey of 2-methyl-4-(2-thiophen-2-ylethylamino)butan-2-ol?
The InChIKey is OYTDGCQBPKTUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-11(2,13)6-8-12-7-5-10-4-3-9-14-10/h3-4,9,12-13H,5-8H2,1-2H3.
What are the key properties of 2-methyl-4-(2-thiophen-2-ylethylamino)butan-2-ol?
2-methyl-4-(2-thiophen-2-ylethylamino)butan-2-ol has a molecular weight of 213.35 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-thiophen-2-ylethylamino)butan-2-ol is sourced from PubChem (CID 79361899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).