N-[2-(2-tert-butylphenoxy)ethyl]-1-thiophen-2-ylethanamine

C18H25NOS — CID 63504424

IUPACN-[2-(2-tert-butylphenoxy)ethyl]-1-thiophen-2-ylethanamine
SMILESCC(NCCOc1ccccc1C(C)(C)C)c1cccs1
InChIInChI=1S/C18H25NOS/c1-14(17-10-7-13-21-17)19-11-12-20-16-9-6-5-8-15(16)18(2,3)4/h5-10,13-14,19H,11-12H2,1-4H3
InChIKeyLUPNURQXAXOHIB-UHFFFAOYSA-N
MW303.47 g/mol
LogP4.78
Rot. Bonds6

About N-[2-(2-tert-butylphenoxy)ethyl]-1-thiophen-2-ylethanamine

N-[2-(2-tert-butylphenoxy)ethyl]-1-thiophen-2-ylethanamine (PubChem CID 63504424) has the molecular formula C18H25NOS and a molecular weight of 303.47 g/mol. Its IUPAC name is N-[2-(2-tert-butylphenoxy)ethyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[2-(2-tert-butylphenoxy)ethyl]-1-thiophen-2-ylethanamine
PubChem CID63504424
Molecular FormulaC18H25NOS
Molecular Weight303.47 g/mol
Exact Mass303.17
IUPAC NameN-[2-(2-tert-butylphenoxy)ethyl]-1-thiophen-2-ylethanamine
SMILESCC(NCCOc1ccccc1C(C)(C)C)c1cccs1
InChIInChI=1S/C18H25NOS/c1-14(17-10-7-13-21-17)19-11-12-20-16-9-6-5-8-15(16)18(2,3)4/h5-10,13-14,19H,11-12H2,1-4H3
InChIKeyLUPNURQXAXOHIB-UHFFFAOYSA-N
XLogP4.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-fluorophenoxy)ethyl]-1-thiophen-2-ylethanamine
CID 60693945
2-[2-[[(1R)-1-thiophen-2-ylethyl]amino]ethoxy]benzoic acid
CID 103257832
N-[2-(2-tert-butylphenoxy)ethyl]-1-(furan-2-yl)ethanamine
CID 62571794
N-[2-(2-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine
CID 54797243
1-thiophen-2-yl-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]ethanamine
CID 66276843
2-(2-tert-butylphenoxy)-N-ethylethanamine
CID 29015338
(1S)-N-[2-(4-bromophenoxy)ethyl]-1-thiophen-2-ylethanamine
CID 81408946
3,3-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]butan-1-amine
CID 81398667
N-[2-(3,4-dimethylphenoxy)ethyl]-1-thiophen-2-ylethanamine
CID 55093036
(1S)-N-[2-(2-methylpropoxy)ethyl]-1-thiophen-2-ylethanamine
CID 106452323
2-tert-butyl-N-(1-thiophen-2-ylethyl)aniline
CID 43682936
2-[2-[[(1S)-1-thiophen-2-ylethyl]amino]ethoxy]ethanol
CID 28727459

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-tert-butylphenoxy)ethyl]-1-thiophen-2-ylethanamine?
The IUPAC name of N-[2-(2-tert-butylphenoxy)ethyl]-1-thiophen-2-ylethanamine (CID 63504424) is N-[2-(2-tert-butylphenoxy)ethyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-[2-(2-tert-butylphenoxy)ethyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for N-[2-(2-tert-butylphenoxy)ethyl]-1-thiophen-2-ylethanamine is CC(NCCOc1ccccc1C(C)(C)C)c1cccs1.
What is the InChIKey of N-[2-(2-tert-butylphenoxy)ethyl]-1-thiophen-2-ylethanamine?
The InChIKey is LUPNURQXAXOHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NOS/c1-14(17-10-7-13-21-17)19-11-12-20-16-9-6-5-8-15(16)18(2,3)4/h5-10,13-14,19H,11-12H2,1-4H3.
What are the key properties of N-[2-(2-tert-butylphenoxy)ethyl]-1-thiophen-2-ylethanamine?
N-[2-(2-tert-butylphenoxy)ethyl]-1-thiophen-2-ylethanamine has a molecular weight of 303.47 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-tert-butylphenoxy)ethyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 63504424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).