1-ethoxy-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol

C13H23NO2S — CID 63932948

IUPAC1-ethoxy-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol
SMILESCCOCC(O)CN(Cc1cccs1)C(C)C
InChIInChI=1S/C13H23NO2S/c1-4-16-10-12(15)8-14(11(2)3)9-13-6-5-7-17-13/h5-7,11-12,15H,4,8-10H2,1-3H3
InChIKeyBQIPVESNGUKMKS-UHFFFAOYSA-N
MW257.40 g/mol
LogP2.36
Rot. Bonds8

About 1-ethoxy-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol

1-ethoxy-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol (PubChem CID 63932948) has the molecular formula C13H23NO2S and a molecular weight of 257.40 g/mol. Its IUPAC name is 1-ethoxy-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol
PubChem CID63932948
Molecular FormulaC13H23NO2S
Molecular Weight257.40 g/mol
Exact Mass257.14
IUPAC Name1-ethoxy-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol
SMILESCCOCC(O)CN(Cc1cccs1)C(C)C
InChIInChI=1S/C13H23NO2S/c1-4-16-10-12(15)8-14(11(2)3)9-13-6-5-7-17-13/h5-7,11-12,15H,4,8-10H2,1-3H3
InChIKeyBQIPVESNGUKMKS-UHFFFAOYSA-N
XLogP2.36
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 106932766
N-ethyl-2-methyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62463231
N'-propan-2-yl-2-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 65232585
(2R)-1-[methyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 129369879
(2R)-1-propan-2-yloxy-3-[propyl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 93161359
2-ethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 65232586
1-(2-aminophenyl)-2-[propan-2-yl(thiophen-2-ylmethyl)amino]ethanol
CID 62265973
(2S)-1-[3-methoxypropyl(thiophen-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 93161343
1-[ethyl(thiophen-2-ylmethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991861
1-[2,2-diethoxyethyl(thiophen-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 74226498
2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 39248066
1-[1-cyclopropylethyl(methyl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 110884814

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol?
The IUPAC name of 1-ethoxy-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol (CID 63932948) is 1-ethoxy-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol.
What is the SMILES notation for 1-ethoxy-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol?
The canonical SMILES for 1-ethoxy-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol is CCOCC(O)CN(Cc1cccs1)C(C)C.
What is the InChIKey of 1-ethoxy-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol?
The InChIKey is BQIPVESNGUKMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2S/c1-4-16-10-12(15)8-14(11(2)3)9-13-6-5-7-17-13/h5-7,11-12,15H,4,8-10H2,1-3H3.
What are the key properties of 1-ethoxy-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol?
1-ethoxy-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol has a molecular weight of 257.40 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol is sourced from PubChem (CID 63932948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).