2-methyl-1-(propylamino)-3-thiophen-3-ylpropan-2-ol

C11H19NOS — CID 66037007

IUPAC2-methyl-1-(propylamino)-3-thiophen-3-ylpropan-2-ol
SMILESCCCNCC(C)(O)Cc1ccsc1
InChIInChI=1S/C11H19NOS/c1-3-5-12-9-11(2,13)7-10-4-6-14-8-10/h4,6,8,12-13H,3,5,7,9H2,1-2H3
InChIKeyMVPXIASNCBBYKU-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.04
Rot. Bonds6

About 2-methyl-1-(propylamino)-3-thiophen-3-ylpropan-2-ol

2-methyl-1-(propylamino)-3-thiophen-3-ylpropan-2-ol (PubChem CID 66037007) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is 2-methyl-1-(propylamino)-3-thiophen-3-ylpropan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(propylamino)-3-thiophen-3-ylpropan-2-ol
PubChem CID66037007
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name2-methyl-1-(propylamino)-3-thiophen-3-ylpropan-2-ol
SMILESCCCNCC(C)(O)Cc1ccsc1
InChIInChI=1S/C11H19NOS/c1-3-5-12-9-11(2,13)7-10-4-6-14-8-10/h4,6,8,12-13H,3,5,7,9H2,1-2H3
InChIKeyMVPXIASNCBBYKU-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-1-(propylamino)-4-thiophen-3-ylbutan-2-ol
CID 66038426
2-methyl-1-(methylamino)-3-thiophen-3-ylpropan-2-ol
CID 66038642
2-phenyl-N-propyl-2-(thiophen-3-ylmethyl)butan-1-amine
CID 63507962
2-methyl-N-propyl-2-(2-thiophen-3-ylethyl)but-3-en-1-amine
CID 102640854
1-(3-bromothiophen-2-yl)-2-methyl-3-(propylamino)propan-2-ol
CID 66039628
3,3-dimethyl-N-propyl-5-thiophen-3-ylpentan-1-amine
CID 81022227
4-methoxy-2-methyl-1-thiophen-3-ylbutan-2-ol
CID 65146654
2,2-dimethyl-3-(2-thiophen-3-ylethylamino)propan-1-ol
CID 81410840
3,3-dimethyl-N-propyl-2-(2-thiophen-3-ylethyl)butan-1-amine
CID 83139408
1-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 126852195
N-tert-butyl-2,2-dimethyl-3-thiophen-3-ylpropan-1-amine
CID 62724141
2-methyl-1-(propan-2-ylamino)-4-thiophen-3-ylbutan-2-ol
CID 66038197

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(propylamino)-3-thiophen-3-ylpropan-2-ol?
The IUPAC name of 2-methyl-1-(propylamino)-3-thiophen-3-ylpropan-2-ol (CID 66037007) is 2-methyl-1-(propylamino)-3-thiophen-3-ylpropan-2-ol.
What is the SMILES notation for 2-methyl-1-(propylamino)-3-thiophen-3-ylpropan-2-ol?
The canonical SMILES for 2-methyl-1-(propylamino)-3-thiophen-3-ylpropan-2-ol is CCCNCC(C)(O)Cc1ccsc1.
What is the InChIKey of 2-methyl-1-(propylamino)-3-thiophen-3-ylpropan-2-ol?
The InChIKey is MVPXIASNCBBYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-3-5-12-9-11(2,13)7-10-4-6-14-8-10/h4,6,8,12-13H,3,5,7,9H2,1-2H3.
What are the key properties of 2-methyl-1-(propylamino)-3-thiophen-3-ylpropan-2-ol?
2-methyl-1-(propylamino)-3-thiophen-3-ylpropan-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-1-(propylamino)-3-thiophen-3-ylpropan-2-ol is sourced from PubChem (CID 66037007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).