2-[2,2-bis(2-methylphenyl)-2-phenylethyl]thiophene;N-ethylethanamine

C30H35NS — CID 66628661

IUPAC2-[2,2-bis(2-methylphenyl)-2-phenylethyl]thiophene;N-ethylethanamine
SMILESCCNCC.Cc1ccccc1C(Cc1cccs1)(c1ccccc1)c1ccccc1C
InChIInChI=1S/C26H24S.C4H11N/c1-20-11-6-8-16-24(20)26(19-23-15-10-18-27-23,22-13-4-3-5-14-22)25-17-9-7-12-21(25)2;1-3-5-4-2/h3-18H,19H2,1-2H3;5H,3-4H2,1-2H3
InChIKeyGXCWAYRFSRYSPF-UHFFFAOYSA-N
MW441.68 g/mol
LogP7.56
Rot. Bonds7

About 2-[2,2-bis(2-methylphenyl)-2-phenylethyl]thiophene;N-ethylethanamine

2-[2,2-bis(2-methylphenyl)-2-phenylethyl]thiophene;N-ethylethanamine (PubChem CID 66628661) has the molecular formula C30H35NS and a molecular weight of 441.68 g/mol. Its IUPAC name is 2-[2,2-bis(2-methylphenyl)-2-phenylethyl]thiophene;N-ethylethanamine.

Molecular Properties

Compound Name2-[2,2-bis(2-methylphenyl)-2-phenylethyl]thiophene;N-ethylethanamine
PubChem CID66628661
Molecular FormulaC30H35NS
Molecular Weight441.68 g/mol
Exact Mass441.25
IUPAC Name2-[2,2-bis(2-methylphenyl)-2-phenylethyl]thiophene;N-ethylethanamine
SMILESCCNCC.Cc1ccccc1C(Cc1cccs1)(c1ccccc1)c1ccccc1C
InChIInChI=1S/C26H24S.C4H11N/c1-20-11-6-8-16-24(20)26(19-23-15-10-18-27-23,22-13-4-3-5-14-22)25-17-9-7-12-21(25)2;1-3-5-4-2/h3-18H,19H2,1-2H3;5H,3-4H2,1-2H3
InChIKeyGXCWAYRFSRYSPF-UHFFFAOYSA-N
XLogP7.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.68
LogP ≤ 57.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-phenyl-2-(thiophen-2-ylmethyl)butan-1-amine
CID 62724684
N-methyl-2-phenyl-2-(thiophen-2-ylmethyl)butan-1-amine
CID 55107089
2-[3-chloro-2-(chloromethyl)-2-phenylpropyl]thiophene
CID 79447054
2-phenyl-2-(thiophen-2-ylmethyl)propane-1,3-diol
CID 79450575
2-(2-fluorophenyl)-1-thiophen-2-ylpropan-2-amine
CID 62621819
2-(2-methylphenyl)-4-thiophen-2-ylbutan-2-amine
CID 55235928
2-methyl-1-thiophen-2-ylpropan-2-amine
CID 13096683
N-ethyl-2,2-dimethyl-4-thiophen-2-ylbutan-1-amine
CID 63774462
2-[2,2-bis(bromomethyl)butyl]thiophene
CID 79456515
N-ethyl-6-thiophen-2-ylhexan-1-amine
CID 65308427
N,2-dimethyl-2-(thiophen-2-ylmethyl)butan-1-amine
CID 62725876
1-ethyl-3-(2-hydroxy-2-phenylpropyl)-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 109417753

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-bis(2-methylphenyl)-2-phenylethyl]thiophene;N-ethylethanamine?
The IUPAC name of 2-[2,2-bis(2-methylphenyl)-2-phenylethyl]thiophene;N-ethylethanamine (CID 66628661) is 2-[2,2-bis(2-methylphenyl)-2-phenylethyl]thiophene;N-ethylethanamine.
What is the SMILES notation for 2-[2,2-bis(2-methylphenyl)-2-phenylethyl]thiophene;N-ethylethanamine?
The canonical SMILES for 2-[2,2-bis(2-methylphenyl)-2-phenylethyl]thiophene;N-ethylethanamine is CCNCC.Cc1ccccc1C(Cc1cccs1)(c1ccccc1)c1ccccc1C.
What is the InChIKey of 2-[2,2-bis(2-methylphenyl)-2-phenylethyl]thiophene;N-ethylethanamine?
The InChIKey is GXCWAYRFSRYSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24S.C4H11N/c1-20-11-6-8-16-24(20)26(19-23-15-10-18-27-23,22-13-4-3-5-14-22)25-17-9-7-12-21(25)2;1-3-5-4-2/h3-18H,19H2,1-2H3;5H,3-4H2,1-2H3.
What are the key properties of 2-[2,2-bis(2-methylphenyl)-2-phenylethyl]thiophene;N-ethylethanamine?
2-[2,2-bis(2-methylphenyl)-2-phenylethyl]thiophene;N-ethylethanamine has a molecular weight of 441.68 g/mol, XLogP of 7.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-bis(2-methylphenyl)-2-phenylethyl]thiophene;N-ethylethanamine is sourced from PubChem (CID 66628661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).