2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylphenyl)ethanamine

C17H23NS — CID 63414215

IUPAC2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylphenyl)ethanamine
SMILESCCc1ccc(CC(N)c2ccc(C(C)C)cc2)s1
InChIInChI=1S/C17H23NS/c1-4-15-9-10-16(19-15)11-17(18)14-7-5-13(6-8-14)12(2)3/h5-10,12,17H,4,11,18H2,1-3H3
InChIKeyZQMZWNUPGJXFRC-UHFFFAOYSA-N
MW273.45 g/mol
LogP4.68
Rot. Bonds5

About 2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylphenyl)ethanamine

2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylphenyl)ethanamine (PubChem CID 63414215) has the molecular formula C17H23NS and a molecular weight of 273.45 g/mol. Its IUPAC name is 2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylphenyl)ethanamine
PubChem CID63414215
Molecular FormulaC17H23NS
Molecular Weight273.45 g/mol
Exact Mass273.16
IUPAC Name2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylphenyl)ethanamine
SMILESCCc1ccc(CC(N)c2ccc(C(C)C)cc2)s1
InChIInChI=1S/C17H23NS/c1-4-15-9-10-16(19-15)11-17(18)14-7-5-13(6-8-14)12(2)3/h5-10,12,17H,4,11,18H2,1-3H3
InChIKeyZQMZWNUPGJXFRC-UHFFFAOYSA-N
XLogP4.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.45
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-ethylthiophen-2-yl)-1-(4-methylsulfonylphenyl)ethanamine
CID 115842561
2-(5-ethylthiophen-2-yl)-1-naphthalen-2-ylethanamine
CID 62716426
2-(5-chlorothiophen-2-yl)-1-(4-ethylphenyl)ethanamine
CID 55095727
N-ethyl-2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylphenyl)ethanamine
CID 63412218
1-(2,6-dichlorophenyl)-2-(5-ethylthiophen-2-yl)ethanamine
CID 115842355
2-(5-ethylthiophen-2-yl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 115842503
2-(5-ethylthiophen-2-yl)-1-(5-fluoro-3-pyridinyl)ethanamine
CID 105136122
2-(5-chlorothiophen-2-yl)-1-(4-methoxyphenyl)ethanamine
CID 62608282
1-(4-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine
CID 62607560
1-(5-bromofuran-2-yl)-2-(5-ethylthiophen-2-yl)ethanamine
CID 115842605
2,5-diethylthiophene
CID 521294
3-ethyl-1-(5-ethylthiophen-2-yl)pentan-2-amine
CID 115842663

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of 2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylphenyl)ethanamine (CID 63414215) is 2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for 2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for 2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylphenyl)ethanamine is CCc1ccc(CC(N)c2ccc(C(C)C)cc2)s1.
What is the InChIKey of 2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is ZQMZWNUPGJXFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS/c1-4-15-9-10-16(19-15)11-17(18)14-7-5-13(6-8-14)12(2)3/h5-10,12,17H,4,11,18H2,1-3H3.
What are the key properties of 2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylphenyl)ethanamine?
2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 273.45 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 63414215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).