2-[(5-tert-butylthiophen-2-yl)methylamino]-3-methoxypropan-1-ol

C13H23NO2S — CID 114078796

IUPAC2-[(5-tert-butylthiophen-2-yl)methylamino]-3-methoxypropan-1-ol
SMILESCOCC(CO)NCc1ccc(C(C)(C)C)s1
InChIInChI=1S/C13H23NO2S/c1-13(2,3)12-6-5-11(17-12)7-14-10(8-15)9-16-4/h5-6,10,14-15H,7-9H2,1-4H3
InChIKeyJCJHOGRXWSHYGO-UHFFFAOYSA-N
MW257.40 g/mol
LogP2.14
Rot. Bonds6

About 2-[(5-tert-butylthiophen-2-yl)methylamino]-3-methoxypropan-1-ol

2-[(5-tert-butylthiophen-2-yl)methylamino]-3-methoxypropan-1-ol (PubChem CID 114078796) has the molecular formula C13H23NO2S and a molecular weight of 257.40 g/mol. Its IUPAC name is 2-[(5-tert-butylthiophen-2-yl)methylamino]-3-methoxypropan-1-ol.

Molecular Properties

Compound Name2-[(5-tert-butylthiophen-2-yl)methylamino]-3-methoxypropan-1-ol
PubChem CID114078796
Molecular FormulaC13H23NO2S
Molecular Weight257.40 g/mol
Exact Mass257.14
IUPAC Name2-[(5-tert-butylthiophen-2-yl)methylamino]-3-methoxypropan-1-ol
SMILESCOCC(CO)NCc1ccc(C(C)(C)C)s1
InChIInChI=1S/C13H23NO2S/c1-13(2,3)12-6-5-11(17-12)7-14-10(8-15)9-16-4/h5-6,10,14-15H,7-9H2,1-4H3
InChIKeyJCJHOGRXWSHYGO-UHFFFAOYSA-N
XLogP2.14
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-tert-butylthiophen-2-yl)methylamino]-4-methoxybutan-1-ol
CID 103816323
(2R)-2-[(5-tert-butylthiophen-2-yl)methylamino]butan-1-ol
CID 103924351
N-[(5-tert-butylthiophen-2-yl)methyl]but-3-en-2-amine
CID 115742295
2-[(5-ethylthiophen-2-yl)methylamino]propane-1,3-diol
CID 65312373
N-[(5-tert-butylthiophen-2-yl)methyl]-1-phenylethanamine
CID 81494858
(1S)-N-[(5-tert-butylthiophen-2-yl)methyl]-1-phenylethanamine
CID 81499028
2-[(2,6-dimethylphenyl)methylamino]-3-methoxypropan-1-ol
CID 106187895
2-[(5-tert-butylthiophen-2-yl)methylamino]-N-ethylpropanamide
CID 81495688
2-[(5-tert-butylthiophen-2-yl)methylamino]-N-propylpropanamide
CID 81494861
3-methoxy-2-(pyrimidin-2-ylmethylamino)propan-1-ol
CID 106190329
N-[(5-tert-butylthiophen-2-yl)methyl]-2-propan-2-ylsulfanylethanamine
CID 123291785
2-[(5-tert-butylthiophen-2-yl)methylamino]-N-methylacetamide
CID 81495461

Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butylthiophen-2-yl)methylamino]-3-methoxypropan-1-ol?
The IUPAC name of 2-[(5-tert-butylthiophen-2-yl)methylamino]-3-methoxypropan-1-ol (CID 114078796) is 2-[(5-tert-butylthiophen-2-yl)methylamino]-3-methoxypropan-1-ol.
What is the SMILES notation for 2-[(5-tert-butylthiophen-2-yl)methylamino]-3-methoxypropan-1-ol?
The canonical SMILES for 2-[(5-tert-butylthiophen-2-yl)methylamino]-3-methoxypropan-1-ol is COCC(CO)NCc1ccc(C(C)(C)C)s1.
What is the InChIKey of 2-[(5-tert-butylthiophen-2-yl)methylamino]-3-methoxypropan-1-ol?
The InChIKey is JCJHOGRXWSHYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2S/c1-13(2,3)12-6-5-11(17-12)7-14-10(8-15)9-16-4/h5-6,10,14-15H,7-9H2,1-4H3.
What are the key properties of 2-[(5-tert-butylthiophen-2-yl)methylamino]-3-methoxypropan-1-ol?
2-[(5-tert-butylthiophen-2-yl)methylamino]-3-methoxypropan-1-ol has a molecular weight of 257.40 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butylthiophen-2-yl)methylamino]-3-methoxypropan-1-ol is sourced from PubChem (CID 114078796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).