3-methyl-2-(2-phenylethylamino)-1-thiophen-2-ylbutan-1-ol

C17H23NOS — CID 82314561

IUPAC3-methyl-2-(2-phenylethylamino)-1-thiophen-2-ylbutan-1-ol
SMILESCC(C)C(NCCc1ccccc1)C(O)c1cccs1
InChIInChI=1S/C17H23NOS/c1-13(2)16(17(19)15-9-6-12-20-15)18-11-10-14-7-4-3-5-8-14/h3-9,12-13,16-19H,10-11H2,1-2H3
InChIKeyNNXJYLKSZFIKCA-UHFFFAOYSA-N
MW289.44 g/mol
LogP3.64
Rot. Bonds7

About 3-methyl-2-(2-phenylethylamino)-1-thiophen-2-ylbutan-1-ol

3-methyl-2-(2-phenylethylamino)-1-thiophen-2-ylbutan-1-ol (PubChem CID 82314561) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is 3-methyl-2-(2-phenylethylamino)-1-thiophen-2-ylbutan-1-ol.

Molecular Properties

Compound Name3-methyl-2-(2-phenylethylamino)-1-thiophen-2-ylbutan-1-ol
PubChem CID82314561
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC Name3-methyl-2-(2-phenylethylamino)-1-thiophen-2-ylbutan-1-ol
SMILESCC(C)C(NCCc1ccccc1)C(O)c1cccs1
InChIInChI=1S/C17H23NOS/c1-13(2)16(17(19)15-9-6-12-20-15)18-11-10-14-7-4-3-5-8-14/h3-9,12-13,16-19H,10-11H2,1-2H3
InChIKeyNNXJYLKSZFIKCA-UHFFFAOYSA-N
XLogP3.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzylamino)-3-methyl-1-thiophen-2-ylbutan-1-ol
CID 82314555
2-[2-(diethylamino)ethylamino]-3-methyl-1-thiophen-2-ylbutan-1-ol
CID 82314573
N-[2-(3-phenylpropoxy)ethyl]-1-thiophen-2-ylethanamine
CID 62584246
N-benzyl-1-thiophen-2-ylethanamine
CID 43177509
1-phenyl-2-(2-phenylethylamino)propan-1-ol
CID 14813307
1-N,1-N'-bis(2-phenylethyl)ethane-1,1-diamine
CID 141155075
N-[2-(3-fluorophenyl)ethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 43777650
N'-benzyl-N'-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62573937
(1R,2R)-3-methyl-1-thiophen-2-ylbutane-1,2-diol
CID 138661529
3-phenyl-N-propyl-1-thiophen-2-ylpropan-1-amine
CID 43495958
2-(cyclopentylamino)-3-methyl-1-thiophen-2-ylbutan-1-ol
CID 82314559
2-[1-(2-phenylethylamino)ethyl]phenol
CID 43194097

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-phenylethylamino)-1-thiophen-2-ylbutan-1-ol?
The IUPAC name of 3-methyl-2-(2-phenylethylamino)-1-thiophen-2-ylbutan-1-ol (CID 82314561) is 3-methyl-2-(2-phenylethylamino)-1-thiophen-2-ylbutan-1-ol.
What is the SMILES notation for 3-methyl-2-(2-phenylethylamino)-1-thiophen-2-ylbutan-1-ol?
The canonical SMILES for 3-methyl-2-(2-phenylethylamino)-1-thiophen-2-ylbutan-1-ol is CC(C)C(NCCc1ccccc1)C(O)c1cccs1.
What is the InChIKey of 3-methyl-2-(2-phenylethylamino)-1-thiophen-2-ylbutan-1-ol?
The InChIKey is NNXJYLKSZFIKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-13(2)16(17(19)15-9-6-12-20-15)18-11-10-14-7-4-3-5-8-14/h3-9,12-13,16-19H,10-11H2,1-2H3.
What are the key properties of 3-methyl-2-(2-phenylethylamino)-1-thiophen-2-ylbutan-1-ol?
3-methyl-2-(2-phenylethylamino)-1-thiophen-2-ylbutan-1-ol has a molecular weight of 289.44 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-phenylethylamino)-1-thiophen-2-ylbutan-1-ol is sourced from PubChem (CID 82314561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).