2-methyl-4-phenyl-N-(2-thiophen-2-ylethyl)butan-2-amine

C17H23NS — CID 115690821

IUPAC2-methyl-4-phenyl-N-(2-thiophen-2-ylethyl)butan-2-amine
SMILESCC(C)(CCc1ccccc1)NCCc1cccs1
InChIInChI=1S/C17H23NS/c1-17(2,12-10-15-7-4-3-5-8-15)18-13-11-16-9-6-14-19-16/h3-9,14,18H,10-13H2,1-2H3
InChIKeyGSYCDZOKTBBIFI-UHFFFAOYSA-N
MW273.44 g/mol
LogP4.29
Rot. Bonds7

About 2-methyl-4-phenyl-N-(2-thiophen-2-ylethyl)butan-2-amine

2-methyl-4-phenyl-N-(2-thiophen-2-ylethyl)butan-2-amine (PubChem CID 115690821) has the molecular formula C17H23NS and a molecular weight of 273.44 g/mol. Its IUPAC name is 2-methyl-4-phenyl-N-(2-thiophen-2-ylethyl)butan-2-amine.

Molecular Properties

Compound Name2-methyl-4-phenyl-N-(2-thiophen-2-ylethyl)butan-2-amine
PubChem CID115690821
Molecular FormulaC17H23NS
Molecular Weight273.44 g/mol
Exact Mass273.16
IUPAC Name2-methyl-4-phenyl-N-(2-thiophen-2-ylethyl)butan-2-amine
SMILESCC(C)(CCc1ccccc1)NCCc1cccs1
InChIInChI=1S/C17H23NS/c1-17(2,12-10-15-7-4-3-5-8-15)18-13-11-16-9-6-14-19-16/h3-9,14,18H,10-13H2,1-2H3
InChIKeyGSYCDZOKTBBIFI-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methyl-4-phenylbutan-2-yl)hexan-1-amine
CID 113472369
(2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)propanoic acid
CID 66925891
2-(8-phenyloct-4-enyl)thiophene
CID 70351967
N-(2-ethoxyethyl)-2-methyl-4-phenylbutan-2-amine
CID 113231354
2-methyl-N-(3-methylbut-3-enyl)-4-phenylbutan-2-amine
CID 114448948
N',N'-diethyl-N-(2-methyl-4-phenylbutan-2-yl)ethane-1,2-diamine
CID 115997324
2-methyl-4-phenyl-N-(1,3-thiazol-5-ylmethyl)butan-2-amine
CID 115732424
N-benzyl-3-thiophen-2-ylpropan-1-amine
CID 83456686
3-methyl-1-N-(2-thiophen-2-ylethyl)butane-1,3-diamine
CID 115200758
2-[(2-methyl-4-phenylbutan-2-yl)amino]ethanesulfonamide
CID 115690814
2-methyl-4-(2-thiophen-2-ylethylamino)butan-2-ol
CID 79361899
1-phenyl-N-(2-thiophen-2-ylethyl)butan-2-amine
CID 79007188

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenyl-N-(2-thiophen-2-ylethyl)butan-2-amine?
The IUPAC name of 2-methyl-4-phenyl-N-(2-thiophen-2-ylethyl)butan-2-amine (CID 115690821) is 2-methyl-4-phenyl-N-(2-thiophen-2-ylethyl)butan-2-amine.
What is the SMILES notation for 2-methyl-4-phenyl-N-(2-thiophen-2-ylethyl)butan-2-amine?
The canonical SMILES for 2-methyl-4-phenyl-N-(2-thiophen-2-ylethyl)butan-2-amine is CC(C)(CCc1ccccc1)NCCc1cccs1.
What is the InChIKey of 2-methyl-4-phenyl-N-(2-thiophen-2-ylethyl)butan-2-amine?
The InChIKey is GSYCDZOKTBBIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS/c1-17(2,12-10-15-7-4-3-5-8-15)18-13-11-16-9-6-14-19-16/h3-9,14,18H,10-13H2,1-2H3.
What are the key properties of 2-methyl-4-phenyl-N-(2-thiophen-2-ylethyl)butan-2-amine?
2-methyl-4-phenyl-N-(2-thiophen-2-ylethyl)butan-2-amine has a molecular weight of 273.44 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenyl-N-(2-thiophen-2-ylethyl)butan-2-amine is sourced from PubChem (CID 115690821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).