1-(2-methylpropoxy)-3-(1-thiophen-2-ylpropylamino)propan-2-ol

C14H25NO2S — CID 54964721

IUPAC1-(2-methylpropoxy)-3-(1-thiophen-2-ylpropylamino)propan-2-ol
SMILESCCC(NCC(O)COCC(C)C)c1cccs1
InChIInChI=1S/C14H25NO2S/c1-4-13(14-6-5-7-18-14)15-8-12(16)10-17-9-11(2)3/h5-7,11-13,15-16H,4,8-10H2,1-3H3
InChIKeyOJAVVGLLCBFZKD-UHFFFAOYSA-N
MW271.43 g/mol
LogP2.82
Rot. Bonds9

About 1-(2-methylpropoxy)-3-(1-thiophen-2-ylpropylamino)propan-2-ol

1-(2-methylpropoxy)-3-(1-thiophen-2-ylpropylamino)propan-2-ol (PubChem CID 54964721) has the molecular formula C14H25NO2S and a molecular weight of 271.43 g/mol. Its IUPAC name is 1-(2-methylpropoxy)-3-(1-thiophen-2-ylpropylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-methylpropoxy)-3-(1-thiophen-2-ylpropylamino)propan-2-ol
PubChem CID54964721
Molecular FormulaC14H25NO2S
Molecular Weight271.43 g/mol
Exact Mass271.16
IUPAC Name1-(2-methylpropoxy)-3-(1-thiophen-2-ylpropylamino)propan-2-ol
SMILESCCC(NCC(O)COCC(C)C)c1cccs1
InChIInChI=1S/C14H25NO2S/c1-4-13(14-6-5-7-18-14)15-8-12(16)10-17-9-11(2)3/h5-7,11-13,15-16H,4,8-10H2,1-3H3
InChIKeyOJAVVGLLCBFZKD-UHFFFAOYSA-N
XLogP2.82
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylpropoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 81408465
(2S)-1-[(3-methyl-1-thiophen-2-ylbutyl)amino]propan-2-ol
CID 103906407
N'-hydroxy-2-methyl-3-(1-thiophen-2-ylpropylamino)propanimidamide
CID 77031255
5-methyl-N-(1-thiophen-2-ylpropyl)hexan-1-amine
CID 115324978
1-[(4-methylphenyl)methoxy]-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
CID 138959135
1-(2-hydroxy-3-methylpentyl)-3-(1-thiophen-2-ylpropyl)urea
CID 111338206
1-(2-methylpropoxy)-N-(1-thiophen-2-ylethyl)propan-2-amine
CID 115889318
methyl 3-(1-thiophen-2-ylpropylamino)propanoate
CID 43139675
1-(4-methylpentoxy)-3-(1-phenylpropylamino)propan-2-ol
CID 62303856
1-(pentan-2-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60634664
1-(1,2-dithiophen-2-ylethylamino)pentan-2-ol
CID 115719311
(1S)-N-[2-(2-methylpropoxy)ethyl]-1-thiophen-2-ylethanamine
CID 106452323

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropoxy)-3-(1-thiophen-2-ylpropylamino)propan-2-ol?
The IUPAC name of 1-(2-methylpropoxy)-3-(1-thiophen-2-ylpropylamino)propan-2-ol (CID 54964721) is 1-(2-methylpropoxy)-3-(1-thiophen-2-ylpropylamino)propan-2-ol.
What is the SMILES notation for 1-(2-methylpropoxy)-3-(1-thiophen-2-ylpropylamino)propan-2-ol?
The canonical SMILES for 1-(2-methylpropoxy)-3-(1-thiophen-2-ylpropylamino)propan-2-ol is CCC(NCC(O)COCC(C)C)c1cccs1.
What is the InChIKey of 1-(2-methylpropoxy)-3-(1-thiophen-2-ylpropylamino)propan-2-ol?
The InChIKey is OJAVVGLLCBFZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2S/c1-4-13(14-6-5-7-18-14)15-8-12(16)10-17-9-11(2)3/h5-7,11-13,15-16H,4,8-10H2,1-3H3.
What are the key properties of 1-(2-methylpropoxy)-3-(1-thiophen-2-ylpropylamino)propan-2-ol?
1-(2-methylpropoxy)-3-(1-thiophen-2-ylpropylamino)propan-2-ol has a molecular weight of 271.43 g/mol, XLogP of 2.82, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropoxy)-3-(1-thiophen-2-ylpropylamino)propan-2-ol is sourced from PubChem (CID 54964721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).