N-ethyl-2-(4-propan-2-ylphenyl)-1-thiophen-2-ylethanamine

C17H23NS — CID 55095629

IUPACN-ethyl-2-(4-propan-2-ylphenyl)-1-thiophen-2-ylethanamine
SMILESCCNC(Cc1ccc(C(C)C)cc1)c1cccs1
InChIInChI=1S/C17H23NS/c1-4-18-16(17-6-5-11-19-17)12-14-7-9-15(10-8-14)13(2)3/h5-11,13,16,18H,4,12H2,1-3H3
InChIKeyHISMTEOVXLXLGU-UHFFFAOYSA-N
MW273.44 g/mol
LogP4.76
Rot. Bonds6

About N-ethyl-2-(4-propan-2-ylphenyl)-1-thiophen-2-ylethanamine

N-ethyl-2-(4-propan-2-ylphenyl)-1-thiophen-2-ylethanamine (PubChem CID 55095629) has the molecular formula C17H23NS and a molecular weight of 273.44 g/mol. Its IUPAC name is N-ethyl-2-(4-propan-2-ylphenyl)-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-ethyl-2-(4-propan-2-ylphenyl)-1-thiophen-2-ylethanamine
PubChem CID55095629
Molecular FormulaC17H23NS
Molecular Weight273.44 g/mol
Exact Mass273.16
IUPAC NameN-ethyl-2-(4-propan-2-ylphenyl)-1-thiophen-2-ylethanamine
SMILESCCNC(Cc1ccc(C(C)C)cc1)c1cccs1
InChIInChI=1S/C17H23NS/c1-4-18-16(17-6-5-11-19-17)12-14-7-9-15(10-8-14)13(2)3/h5-11,13,16,18H,4,12H2,1-3H3
InChIKeyHISMTEOVXLXLGU-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-ethyl-2-(4-methylphenyl)-1-thiophen-2-ylethanamine
CID 92968196
N-ethyl-2-phenyl-1-thiophen-2-ylethanamine;hydrochloride
CID 3061989
2-(3,5-dimethylphenyl)-N-ethyl-1-thiophen-2-ylethanamine
CID 54911205
N-ethyl-1,2-dithiophen-2-ylethanamine
CID 43755169
1-(4,5-dimethylthiophen-2-yl)-N-ethyl-2-(4-propan-2-ylphenyl)ethanamine
CID 115844174
1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-propan-2-ylphenyl)ethanamine
CID 115844263
2-(3-bromophenyl)-N-ethyl-1-thiophen-2-ylethanamine
CID 60818969
N-ethyl-1-(4-iodophenyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 115844176
N-ethyl-4-methyl-1-thiophen-2-ylpentan-1-amine
CID 43490552
N-ethyl-2-(2-methylphenyl)-1-thiophen-2-ylethanamine
CID 43490566
[2-(4-ethylphenyl)-1-thiophen-2-ylethyl]hydrazine
CID 105193509
N-[(4-propylphenyl)-thiophen-2-ylmethyl]ethanamine
CID 43393768

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-propan-2-ylphenyl)-1-thiophen-2-ylethanamine?
The IUPAC name of N-ethyl-2-(4-propan-2-ylphenyl)-1-thiophen-2-ylethanamine (CID 55095629) is N-ethyl-2-(4-propan-2-ylphenyl)-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-ethyl-2-(4-propan-2-ylphenyl)-1-thiophen-2-ylethanamine?
The canonical SMILES for N-ethyl-2-(4-propan-2-ylphenyl)-1-thiophen-2-ylethanamine is CCNC(Cc1ccc(C(C)C)cc1)c1cccs1.
What is the InChIKey of N-ethyl-2-(4-propan-2-ylphenyl)-1-thiophen-2-ylethanamine?
The InChIKey is HISMTEOVXLXLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS/c1-4-18-16(17-6-5-11-19-17)12-14-7-9-15(10-8-14)13(2)3/h5-11,13,16,18H,4,12H2,1-3H3.
What are the key properties of N-ethyl-2-(4-propan-2-ylphenyl)-1-thiophen-2-ylethanamine?
N-ethyl-2-(4-propan-2-ylphenyl)-1-thiophen-2-ylethanamine has a molecular weight of 273.44 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-propan-2-ylphenyl)-1-thiophen-2-ylethanamine is sourced from PubChem (CID 55095629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).