(2R)-1-(3-propan-2-yloxypropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol

C14H25NO3S — CID 2119639

IUPAC(2R)-1-(3-propan-2-yloxypropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESCC(C)OCCCNC[C@@H](O)COCc1cccs1
InChIInChI=1S/C14H25NO3S/c1-12(2)18-7-4-6-15-9-13(16)10-17-11-14-5-3-8-19-14/h3,5,8,12-13,15-16H,4,6-7,9-11H2,1-2H3/t13-/m1/s1
InChIKeyNQLMAOBYIXPPIN-CYBMUJFWSA-N
MW287.42 g/mol
LogP2.03
Rot. Bonds11

About (2R)-1-(3-propan-2-yloxypropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol

(2R)-1-(3-propan-2-yloxypropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol (PubChem CID 2119639) has the molecular formula C14H25NO3S and a molecular weight of 287.42 g/mol. Its IUPAC name is (2R)-1-(3-propan-2-yloxypropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(3-propan-2-yloxypropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
PubChem CID2119639
Molecular FormulaC14H25NO3S
Molecular Weight287.42 g/mol
Exact Mass287.16
IUPAC Name(2R)-1-(3-propan-2-yloxypropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESCC(C)OCCCNC[C@@H](O)COCc1cccs1
InChIInChI=1S/C14H25NO3S/c1-12(2)18-7-4-6-15-9-13(16)10-17-11-14-5-3-8-19-14/h3,5,8,12-13,15-16H,4,6-7,9-11H2,1-2H3/t13-/m1/s1
InChIKeyNQLMAOBYIXPPIN-CYBMUJFWSA-N
XLogP2.03
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
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

1-(3-methylsulfanylpropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 63966458
1-(2-butoxyethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 61171076
1-(2-propan-2-yloxyethoxy)-3-(thiophen-2-ylmethylamino)propan-2-ol
CID 60633221
1-(2,2-dimethylpropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 61167409
1-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 79358228
3-ethyl-1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]pentan-2-ol
CID 106285514
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
ethyl 2-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]acetate
CID 54937741
5-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]-4,4-dimethylpentan-1-ol
CID 106147082
1-(pentan-2-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60634664
2-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]-3-methylbutan-1-ol
CID 79248985

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-propan-2-yloxypropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The IUPAC name of (2R)-1-(3-propan-2-yloxypropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol (CID 2119639) is (2R)-1-(3-propan-2-yloxypropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-(3-propan-2-yloxypropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The canonical SMILES for (2R)-1-(3-propan-2-yloxypropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol is CC(C)OCCCNC[C@@H](O)COCc1cccs1.
What is the InChIKey of (2R)-1-(3-propan-2-yloxypropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The InChIKey is NQLMAOBYIXPPIN-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H25NO3S/c1-12(2)18-7-4-6-15-9-13(16)10-17-11-14-5-3-8-19-14/h3,5,8,12-13,15-16H,4,6-7,9-11H2,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-1-(3-propan-2-yloxypropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol?
(2R)-1-(3-propan-2-yloxypropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol has a molecular weight of 287.42 g/mol, XLogP of 2.03, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-propan-2-yloxypropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 2119639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).