1-(2,2-dimethylpropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol

C13H23NO2S — CID 61167409

IUPAC1-(2,2-dimethylpropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESCC(C)(C)CNCC(O)COCc1cccs1
InChIInChI=1S/C13H23NO2S/c1-13(2,3)10-14-7-11(15)8-16-9-12-5-4-6-17-12/h4-6,11,14-15H,7-10H2,1-3H3
InChIKeyDTFNWQYWPKFSHD-UHFFFAOYSA-N
MW257.40 g/mol
LogP2.26
Rot. Bonds7

About 1-(2,2-dimethylpropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol

1-(2,2-dimethylpropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol (PubChem CID 61167409) has the molecular formula C13H23NO2S and a molecular weight of 257.40 g/mol. Its IUPAC name is 1-(2,2-dimethylpropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2,2-dimethylpropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
PubChem CID61167409
Molecular FormulaC13H23NO2S
Molecular Weight257.40 g/mol
Exact Mass257.14
IUPAC Name1-(2,2-dimethylpropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESCC(C)(C)CNCC(O)COCc1cccs1
InChIInChI=1S/C13H23NO2S/c1-13(2,3)10-14-7-11(15)8-16-9-12-5-4-6-17-12/h4-6,11,14-15H,7-10H2,1-3H3
InChIKeyDTFNWQYWPKFSHD-UHFFFAOYSA-N
XLogP2.26
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2,2-dimethylpropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol with MolForge

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Related Compounds

5-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]-4,4-dimethylpentan-1-ol
CID 106147082
ethyl 2-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]acetate
CID 54937741
3-ethyl-1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]pentan-2-ol
CID 106285514
(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
1-[(4-methylphenyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60632328
1-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 79358228
1-(2-butoxyethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 61171076
4-[[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]methyl]cyclohexan-1-ol
CID 106133162
1-[2-(furan-2-yl)ethylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 54907292
3-[[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]methyl]hexan-1-ol
CID 106115240
1-[(4,5-dimethylthiophen-2-yl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 65243670

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-(2,2-dimethylpropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol (CID 61167409) is 1-(2,2-dimethylpropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-(2,2-dimethylpropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-(2,2-dimethylpropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol is CC(C)(C)CNCC(O)COCc1cccs1.
What is the InChIKey of 1-(2,2-dimethylpropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The InChIKey is DTFNWQYWPKFSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2S/c1-13(2,3)10-14-7-11(15)8-16-9-12-5-4-6-17-12/h4-6,11,14-15H,7-10H2,1-3H3.
What are the key properties of 1-(2,2-dimethylpropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol?
1-(2,2-dimethylpropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol has a molecular weight of 257.40 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 61167409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).