4-methoxy-2,4-dimethyl-2-(thiophen-2-ylmethylamino)pentan-1-ol

C13H23NO2S — CID 61054800

IUPAC4-methoxy-2,4-dimethyl-2-(thiophen-2-ylmethylamino)pentan-1-ol
SMILESCOC(C)(C)CC(C)(CO)NCc1cccs1
InChIInChI=1S/C13H23NO2S/c1-12(2,16-4)9-13(3,10-15)14-8-11-6-5-7-17-11/h5-7,14-15H,8-10H2,1-4H3
InChIKeyJPDFEQWHMJWJKG-UHFFFAOYSA-N
MW257.40 g/mol
LogP2.40
Rot. Bonds7

About 4-methoxy-2,4-dimethyl-2-(thiophen-2-ylmethylamino)pentan-1-ol

4-methoxy-2,4-dimethyl-2-(thiophen-2-ylmethylamino)pentan-1-ol (PubChem CID 61054800) has the molecular formula C13H23NO2S and a molecular weight of 257.40 g/mol. Its IUPAC name is 4-methoxy-2,4-dimethyl-2-(thiophen-2-ylmethylamino)pentan-1-ol.

Molecular Properties

Compound Name4-methoxy-2,4-dimethyl-2-(thiophen-2-ylmethylamino)pentan-1-ol
PubChem CID61054800
Molecular FormulaC13H23NO2S
Molecular Weight257.40 g/mol
Exact Mass257.14
IUPAC Name4-methoxy-2,4-dimethyl-2-(thiophen-2-ylmethylamino)pentan-1-ol
SMILESCOC(C)(C)CC(C)(CO)NCc1cccs1
InChIInChI=1S/C13H23NO2S/c1-12(2,16-4)9-13(3,10-15)14-8-11-6-5-7-17-11/h5-7,14-15H,8-10H2,1-4H3
InChIKeyJPDFEQWHMJWJKG-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-phenyl-2-(thiophen-2-ylmethylamino)propan-1-ol
CID 55149935
2-methyl-2-(thiophen-2-ylmethylamino)propan-1-ol chloride
CID 53347623
3-methoxy-3-methyl-N-(thiophen-2-ylmethyl)butan-1-amine
CID 103019853
2,4,4-trimethyl-N-(thiophen-2-ylmethyl)pentan-2-amine
CID 4722843
4-methoxy-4-methyl-2-(thiophen-2-ylmethylamino)pentanoic acid
CID 106675991
methyl 2-phenyl-2-(thiophen-2-ylmethylamino)propanoate
CID 54895016
2-methyl-2-(thiophen-2-ylmethylamino)propanoic acid
CID 61001579
2-(4-ethoxyphenyl)-2-(thiophen-2-ylmethylamino)propanoic acid
CID 61001696
3-(4-methoxyphenyl)-2-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 65380352
2-(4-fluorophenyl)-2-(thiophen-2-ylmethylamino)propan-1-ol
CID 61054387
methyl 2,3-dimethyl-2-(thiophen-2-ylmethylamino)butanoate
CID 62488456
4-methoxy-4-methyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
CID 106675725

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,4-dimethyl-2-(thiophen-2-ylmethylamino)pentan-1-ol?
The IUPAC name of 4-methoxy-2,4-dimethyl-2-(thiophen-2-ylmethylamino)pentan-1-ol (CID 61054800) is 4-methoxy-2,4-dimethyl-2-(thiophen-2-ylmethylamino)pentan-1-ol.
What is the SMILES notation for 4-methoxy-2,4-dimethyl-2-(thiophen-2-ylmethylamino)pentan-1-ol?
The canonical SMILES for 4-methoxy-2,4-dimethyl-2-(thiophen-2-ylmethylamino)pentan-1-ol is COC(C)(C)CC(C)(CO)NCc1cccs1.
What is the InChIKey of 4-methoxy-2,4-dimethyl-2-(thiophen-2-ylmethylamino)pentan-1-ol?
The InChIKey is JPDFEQWHMJWJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2S/c1-12(2,16-4)9-13(3,10-15)14-8-11-6-5-7-17-11/h5-7,14-15H,8-10H2,1-4H3.
What are the key properties of 4-methoxy-2,4-dimethyl-2-(thiophen-2-ylmethylamino)pentan-1-ol?
4-methoxy-2,4-dimethyl-2-(thiophen-2-ylmethylamino)pentan-1-ol has a molecular weight of 257.40 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,4-dimethyl-2-(thiophen-2-ylmethylamino)pentan-1-ol is sourced from PubChem (CID 61054800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).