1-(2-butoxyethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol

C14H25NO3S — CID 61171076

IUPAC1-(2-butoxyethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESCCCCOCCNCC(O)COCc1cccs1
InChIInChI=1S/C14H25NO3S/c1-2-3-7-17-8-6-15-10-13(16)11-18-12-14-5-4-9-19-14/h4-5,9,13,15-16H,2-3,6-8,10-12H2,1H3
InChIKeySIYVGOOJWWERSP-UHFFFAOYSA-N
MW287.42 g/mol
LogP2.03
Rot. Bonds12

About 1-(2-butoxyethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol

1-(2-butoxyethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol (PubChem CID 61171076) has the molecular formula C14H25NO3S and a molecular weight of 287.42 g/mol. Its IUPAC name is 1-(2-butoxyethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-butoxyethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
PubChem CID61171076
Molecular FormulaC14H25NO3S
Molecular Weight287.42 g/mol
Exact Mass287.16
IUPAC Name1-(2-butoxyethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESCCCCOCCNCC(O)COCc1cccs1
InChIInChI=1S/C14H25NO3S/c1-2-3-7-17-8-6-15-10-13(16)11-18-12-14-5-4-9-19-14/h4-5,9,13,15-16H,2-3,6-8,10-12H2,1H3
InChIKeySIYVGOOJWWERSP-UHFFFAOYSA-N
XLogP2.03
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.42
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-(3-propan-2-yloxypropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2119639
1-(3-methylsulfanylpropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 63966458
3-ethyl-1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]pentan-2-ol
CID 106285514
1-(2,2-dimethylpropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 61167409
1-(2-butoxyethoxy)-3-(2-butoxyethylamino)propan-2-ol
CID 61171086
1-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 79358228
3-[[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]methyl]hexan-1-ol
CID 106115240
ethyl 2-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]acetate
CID 54937741
1-(pentan-2-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60634664
1-[(4-methylphenyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60632328
1-[2-(furan-2-yl)ethylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 54907292
4-[[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]methyl]cyclohexan-1-ol
CID 106133162

Frequently Asked Questions

What is the IUPAC name of 1-(2-butoxyethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-(2-butoxyethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol (CID 61171076) is 1-(2-butoxyethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-(2-butoxyethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-(2-butoxyethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol is CCCCOCCNCC(O)COCc1cccs1.
What is the InChIKey of 1-(2-butoxyethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The InChIKey is SIYVGOOJWWERSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3S/c1-2-3-7-17-8-6-15-10-13(16)11-18-12-14-5-4-9-19-14/h4-5,9,13,15-16H,2-3,6-8,10-12H2,1H3.
What are the key properties of 1-(2-butoxyethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol?
1-(2-butoxyethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol has a molecular weight of 287.42 g/mol, XLogP of 2.03, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 61171076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).