2-amino-2-methyl-4-[5-(4-phenylbut-1-enyl)thiophen-2-yl]butan-1-ol

C19H25NOS — CID 85059232

IUPAC2-amino-2-methyl-4-[5-(4-phenylbut-1-enyl)thiophen-2-yl]butan-1-ol
SMILESCC(N)(CO)CCc1ccc(C=CCCc2ccccc2)s1
InChIInChI=1S/C19H25NOS/c1-19(20,15-21)14-13-18-12-11-17(22-18)10-6-5-9-16-7-3-2-4-8-16/h2-4,6-8,10-12,21H,5,9,13-15,20H2,1H3
InChIKeyVYJKNDDYLZJKAO-UHFFFAOYSA-N
MW315.48 g/mol
LogP4.04
Rot. Bonds8

About 2-amino-2-methyl-4-[5-(4-phenylbut-1-enyl)thiophen-2-yl]butan-1-ol

2-amino-2-methyl-4-[5-(4-phenylbut-1-enyl)thiophen-2-yl]butan-1-ol (PubChem CID 85059232) has the molecular formula C19H25NOS and a molecular weight of 315.48 g/mol. Its IUPAC name is 2-amino-2-methyl-4-[5-(4-phenylbut-1-enyl)thiophen-2-yl]butan-1-ol.

Molecular Properties

Compound Name2-amino-2-methyl-4-[5-(4-phenylbut-1-enyl)thiophen-2-yl]butan-1-ol
PubChem CID85059232
Molecular FormulaC19H25NOS
Molecular Weight315.48 g/mol
Exact Mass315.17
IUPAC Name2-amino-2-methyl-4-[5-(4-phenylbut-1-enyl)thiophen-2-yl]butan-1-ol
SMILESCC(N)(CO)CCc1ccc(C=CCCc2ccccc2)s1
InChIInChI=1S/C19H25NOS/c1-19(20,15-21)14-13-18-12-11-17(22-18)10-6-5-9-16-7-3-2-4-8-16/h2-4,6-8,10-12,21H,5,9,13-15,20H2,1H3
InChIKeyVYJKNDDYLZJKAO-UHFFFAOYSA-N
XLogP4.04
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-4-[5-(4-phenylbut-1-enyl)thiophen-2-yl]butan-1-ol?
The IUPAC name of 2-amino-2-methyl-4-[5-(4-phenylbut-1-enyl)thiophen-2-yl]butan-1-ol (CID 85059232) is 2-amino-2-methyl-4-[5-(4-phenylbut-1-enyl)thiophen-2-yl]butan-1-ol.
What is the SMILES notation for 2-amino-2-methyl-4-[5-(4-phenylbut-1-enyl)thiophen-2-yl]butan-1-ol?
The canonical SMILES for 2-amino-2-methyl-4-[5-(4-phenylbut-1-enyl)thiophen-2-yl]butan-1-ol is CC(N)(CO)CCc1ccc(C=CCCc2ccccc2)s1.
What is the InChIKey of 2-amino-2-methyl-4-[5-(4-phenylbut-1-enyl)thiophen-2-yl]butan-1-ol?
The InChIKey is VYJKNDDYLZJKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NOS/c1-19(20,15-21)14-13-18-12-11-17(22-18)10-6-5-9-16-7-3-2-4-8-16/h2-4,6-8,10-12,21H,5,9,13-15,20H2,1H3.
What are the key properties of 2-amino-2-methyl-4-[5-(4-phenylbut-1-enyl)thiophen-2-yl]butan-1-ol?
2-amino-2-methyl-4-[5-(4-phenylbut-1-enyl)thiophen-2-yl]butan-1-ol has a molecular weight of 315.48 g/mol, XLogP of 4.04, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-4-[5-(4-phenylbut-1-enyl)thiophen-2-yl]butan-1-ol is sourced from PubChem (CID 85059232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).