1-(5-ethylthiophen-2-yl)-N-[2-(2-methylpropoxy)ethyl]ethanamine

C14H25NOS — CID 115713770

IUPAC1-(5-ethylthiophen-2-yl)-N-[2-(2-methylpropoxy)ethyl]ethanamine
SMILESCCc1ccc(C(C)NCCOCC(C)C)s1
InChIInChI=1S/C14H25NOS/c1-5-13-6-7-14(17-13)12(4)15-8-9-16-10-11(2)3/h6-7,11-12,15H,5,8-10H2,1-4H3
InChIKeyMHHXKCFZJBVGDD-UHFFFAOYSA-N
MW255.43 g/mol
LogP3.63
Rot. Bonds8

About 1-(5-ethylthiophen-2-yl)-N-[2-(2-methylpropoxy)ethyl]ethanamine

1-(5-ethylthiophen-2-yl)-N-[2-(2-methylpropoxy)ethyl]ethanamine (PubChem CID 115713770) has the molecular formula C14H25NOS and a molecular weight of 255.43 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-N-[2-(2-methylpropoxy)ethyl]ethanamine.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-N-[2-(2-methylpropoxy)ethyl]ethanamine
PubChem CID115713770
Molecular FormulaC14H25NOS
Molecular Weight255.43 g/mol
Exact Mass255.17
IUPAC Name1-(5-ethylthiophen-2-yl)-N-[2-(2-methylpropoxy)ethyl]ethanamine
SMILESCCc1ccc(C(C)NCCOCC(C)C)s1
InChIInChI=1S/C14H25NOS/c1-5-13-6-7-14(17-13)12(4)15-8-9-16-10-11(2)3/h6-7,11-12,15H,5,8-10H2,1-4H3
InChIKeyMHHXKCFZJBVGDD-UHFFFAOYSA-N
XLogP3.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 53.63
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-[1-(5-ethylthiophen-2-yl)ethyl]-7-methyloctan-1-amine
CID 55198066
(1S)-N-[2-(2-methylpropoxy)ethyl]-1-thiophen-2-ylethanamine
CID 106452323
3-cyclohexyloxy-N-[1-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 61333751
3-[1-(5-ethylthiophen-2-yl)ethylamino]propanamide
CID 61333187
N-[2-[1-(5-ethylthiophen-2-yl)ethylamino]ethyl]acetamide
CID 61333178
N-[1-(5-ethylthiophen-2-yl)ethyl]-5,5,5-trifluoropentan-1-amine
CID 113327120
(1R)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 55277214
1-(5-ethylthiophen-2-yl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
CID 104629100
N-[1-(5-ethylthiophen-2-yl)ethyl]prop-2-en-1-amine
CID 61334719
1-(5-ethylthiophen-2-yl)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 61334131
1-(5-ethylthiophen-2-yl)-N-[(1-methylcyclopropyl)methyl]ethanamine
CID 103902899
1-(5-ethylthiophen-2-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine
CID 115713093

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-N-[2-(2-methylpropoxy)ethyl]ethanamine?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-N-[2-(2-methylpropoxy)ethyl]ethanamine (CID 115713770) is 1-(5-ethylthiophen-2-yl)-N-[2-(2-methylpropoxy)ethyl]ethanamine.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-N-[2-(2-methylpropoxy)ethyl]ethanamine?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-N-[2-(2-methylpropoxy)ethyl]ethanamine is CCc1ccc(C(C)NCCOCC(C)C)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-N-[2-(2-methylpropoxy)ethyl]ethanamine?
The InChIKey is MHHXKCFZJBVGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NOS/c1-5-13-6-7-14(17-13)12(4)15-8-9-16-10-11(2)3/h6-7,11-12,15H,5,8-10H2,1-4H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-N-[2-(2-methylpropoxy)ethyl]ethanamine?
1-(5-ethylthiophen-2-yl)-N-[2-(2-methylpropoxy)ethyl]ethanamine has a molecular weight of 255.43 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-N-[2-(2-methylpropoxy)ethyl]ethanamine is sourced from PubChem (CID 115713770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).