4-[1-(ethylamino)-3-phenylthiophen-1-yl]-2-methylbutan-2-ol

C17H25NOS — CID 57214920

IUPAC4-[1-(ethylamino)-3-phenylthiophen-1-yl]-2-methylbutan-2-ol
SMILESCCNS1(CCC(C)(C)O)C=CC(c2ccccc2)=C1
InChIInChI=1S/C17H25NOS/c1-4-18-20(13-11-17(2,3)19)12-10-16(14-20)15-8-6-5-7-9-15/h5-10,12,14,18-19H,4,11,13H2,1-3H3
InChIKeyRLRRHDJHVUULCG-UHFFFAOYSA-N
MW291.46 g/mol
LogP4.04
Rot. Bonds6

About 4-[1-(ethylamino)-3-phenylthiophen-1-yl]-2-methylbutan-2-ol

4-[1-(ethylamino)-3-phenylthiophen-1-yl]-2-methylbutan-2-ol (PubChem CID 57214920) has the molecular formula C17H25NOS and a molecular weight of 291.46 g/mol. Its IUPAC name is 4-[1-(ethylamino)-3-phenylthiophen-1-yl]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[1-(ethylamino)-3-phenylthiophen-1-yl]-2-methylbutan-2-ol
PubChem CID57214920
Molecular FormulaC17H25NOS
Molecular Weight291.46 g/mol
Exact Mass291.17
IUPAC Name4-[1-(ethylamino)-3-phenylthiophen-1-yl]-2-methylbutan-2-ol
SMILESCCNS1(CCC(C)(C)O)C=CC(c2ccccc2)=C1
InChIInChI=1S/C17H25NOS/c1-4-18-20(13-11-17(2,3)19)12-10-16(14-20)15-8-6-5-7-9-15/h5-10,12,14,18-19H,4,11,13H2,1-3H3
InChIKeyRLRRHDJHVUULCG-UHFFFAOYSA-N
XLogP4.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(ethylamino)-3-phenylthiophen-1-yl]-2-methylbutan-2-ol?
The IUPAC name of 4-[1-(ethylamino)-3-phenylthiophen-1-yl]-2-methylbutan-2-ol (CID 57214920) is 4-[1-(ethylamino)-3-phenylthiophen-1-yl]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[1-(ethylamino)-3-phenylthiophen-1-yl]-2-methylbutan-2-ol?
The canonical SMILES for 4-[1-(ethylamino)-3-phenylthiophen-1-yl]-2-methylbutan-2-ol is CCNS1(CCC(C)(C)O)C=CC(c2ccccc2)=C1.
What is the InChIKey of 4-[1-(ethylamino)-3-phenylthiophen-1-yl]-2-methylbutan-2-ol?
The InChIKey is RLRRHDJHVUULCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NOS/c1-4-18-20(13-11-17(2,3)19)12-10-16(14-20)15-8-6-5-7-9-15/h5-10,12,14,18-19H,4,11,13H2,1-3H3.
What are the key properties of 4-[1-(ethylamino)-3-phenylthiophen-1-yl]-2-methylbutan-2-ol?
4-[1-(ethylamino)-3-phenylthiophen-1-yl]-2-methylbutan-2-ol has a molecular weight of 291.46 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(ethylamino)-3-phenylthiophen-1-yl]-2-methylbutan-2-ol is sourced from PubChem (CID 57214920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).