N-[2-(3-phenylpropoxy)ethyl]-1-thiophen-2-ylethanamine

C17H23NOS — CID 62584246

IUPACN-[2-(3-phenylpropoxy)ethyl]-1-thiophen-2-ylethanamine
SMILESCC(NCCOCCCc1ccccc1)c1cccs1
InChIInChI=1S/C17H23NOS/c1-15(17-10-6-14-20-17)18-11-13-19-12-5-9-16-7-3-2-4-8-16/h2-4,6-8,10,14-15,18H,5,9,11-13H2,1H3
InChIKeyZGPZHNTVZXJHLE-UHFFFAOYSA-N
MW289.44 g/mol
LogP4.05
Rot. Bonds9

About N-[2-(3-phenylpropoxy)ethyl]-1-thiophen-2-ylethanamine

N-[2-(3-phenylpropoxy)ethyl]-1-thiophen-2-ylethanamine (PubChem CID 62584246) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is N-[2-(3-phenylpropoxy)ethyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[2-(3-phenylpropoxy)ethyl]-1-thiophen-2-ylethanamine
PubChem CID62584246
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC NameN-[2-(3-phenylpropoxy)ethyl]-1-thiophen-2-ylethanamine
SMILESCC(NCCOCCCc1ccccc1)c1cccs1
InChIInChI=1S/C17H23NOS/c1-15(17-10-6-14-20-17)18-11-13-19-12-5-9-16-7-3-2-4-8-16/h2-4,6-8,10,14-15,18H,5,9,11-13H2,1H3
InChIKeyZGPZHNTVZXJHLE-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 54.05
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

(1S)-N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1-thiophen-2-ylethanamine
CID 104562673
2-[2-[[(1S)-1-thiophen-2-ylethyl]amino]ethoxy]ethanol
CID 28727459
(1S)-N-[2-(2-methylpropoxy)ethyl]-1-thiophen-2-ylethanamine
CID 106452323
N-[2-(cyclopropylmethoxy)ethyl]-1-thiophen-2-ylethanamine
CID 62598016
N-benzyl-1-thiophen-2-ylethanamine
CID 43177509
3-methyl-2-(2-phenylethylamino)-1-thiophen-2-ylbutan-1-ol
CID 82314561
N'-benzyl-N'-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62573937
1-thiophen-2-yl-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]ethanamine
CID 66276843
N-[2-(2-fluorophenoxy)ethyl]-1-thiophen-2-ylethanamine
CID 60693945
4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentan-1-amine
CID 83156028
3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 81408503
2-(1-thiophen-2-ylethylamino)ethanol
CID 43151185

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-phenylpropoxy)ethyl]-1-thiophen-2-ylethanamine?
The IUPAC name of N-[2-(3-phenylpropoxy)ethyl]-1-thiophen-2-ylethanamine (CID 62584246) is N-[2-(3-phenylpropoxy)ethyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-[2-(3-phenylpropoxy)ethyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for N-[2-(3-phenylpropoxy)ethyl]-1-thiophen-2-ylethanamine is CC(NCCOCCCc1ccccc1)c1cccs1.
What is the InChIKey of N-[2-(3-phenylpropoxy)ethyl]-1-thiophen-2-ylethanamine?
The InChIKey is ZGPZHNTVZXJHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-15(17-10-6-14-20-17)18-11-13-19-12-5-9-16-7-3-2-4-8-16/h2-4,6-8,10,14-15,18H,5,9,11-13H2,1H3.
What are the key properties of N-[2-(3-phenylpropoxy)ethyl]-1-thiophen-2-ylethanamine?
N-[2-(3-phenylpropoxy)ethyl]-1-thiophen-2-ylethanamine has a molecular weight of 289.44 g/mol, XLogP of 4.05, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-phenylpropoxy)ethyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 62584246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).