N-[2-(3,4-dimethylphenoxy)ethyl]-1-thiophen-2-ylethanamine

C16H21NOS — CID 55093036

IUPACN-[2-(3,4-dimethylphenoxy)ethyl]-1-thiophen-2-ylethanamine
SMILESCc1ccc(OCCNC(C)c2cccs2)cc1C
InChIInChI=1S/C16H21NOS/c1-12-6-7-15(11-13(12)2)18-9-8-17-14(3)16-5-4-10-19-16/h4-7,10-11,14,17H,8-9H2,1-3H3
InChIKeyZRZXQESSJWQGEA-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.09
Rot. Bonds6

About N-[2-(3,4-dimethylphenoxy)ethyl]-1-thiophen-2-ylethanamine

N-[2-(3,4-dimethylphenoxy)ethyl]-1-thiophen-2-ylethanamine (PubChem CID 55093036) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is N-[2-(3,4-dimethylphenoxy)ethyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[2-(3,4-dimethylphenoxy)ethyl]-1-thiophen-2-ylethanamine
PubChem CID55093036
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC NameN-[2-(3,4-dimethylphenoxy)ethyl]-1-thiophen-2-ylethanamine
SMILESCc1ccc(OCCNC(C)c2cccs2)cc1C
InChIInChI=1S/C16H21NOS/c1-12-6-7-15(11-13(12)2)18-9-8-17-14(3)16-5-4-10-19-16/h4-7,10-11,14,17H,8-9H2,1-3H3
InChIKeyZRZXQESSJWQGEA-UHFFFAOYSA-N
XLogP4.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.09
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-(4-bromophenoxy)ethyl]-1-thiophen-2-ylethanamine
CID 81408946
N-[2-(2-fluorophenoxy)ethyl]-1-thiophen-2-ylethanamine
CID 60693945
(1S)-N-[2-(2-methylpropoxy)ethyl]-1-thiophen-2-ylethanamine
CID 106452323
(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
N-[2-(2-tert-butylphenoxy)ethyl]-1-thiophen-2-ylethanamine
CID 63504424
1-thiophen-2-yl-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]ethanamine
CID 66276843
4-[2-(3,4-dimethylphenoxy)ethoxy]-1,2-dimethylbenzene
CID 2195047
2-(1-thiophen-2-ylethylamino)ethanol
CID 43151185
(1R)-N-[(5-fluoro-2-methylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 105371284
2-[2-[[(1R)-1-thiophen-2-ylethyl]amino]ethoxy]benzoic acid
CID 103257832
N-[2-(cyclopropylmethoxy)ethyl]-1-thiophen-2-ylethanamine
CID 62598016

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethylphenoxy)ethyl]-1-thiophen-2-ylethanamine?
The IUPAC name of N-[2-(3,4-dimethylphenoxy)ethyl]-1-thiophen-2-ylethanamine (CID 55093036) is N-[2-(3,4-dimethylphenoxy)ethyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-[2-(3,4-dimethylphenoxy)ethyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for N-[2-(3,4-dimethylphenoxy)ethyl]-1-thiophen-2-ylethanamine is Cc1ccc(OCCNC(C)c2cccs2)cc1C.
What is the InChIKey of N-[2-(3,4-dimethylphenoxy)ethyl]-1-thiophen-2-ylethanamine?
The InChIKey is ZRZXQESSJWQGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-12-6-7-15(11-13(12)2)18-9-8-17-14(3)16-5-4-10-19-16/h4-7,10-11,14,17H,8-9H2,1-3H3.
What are the key properties of N-[2-(3,4-dimethylphenoxy)ethyl]-1-thiophen-2-ylethanamine?
N-[2-(3,4-dimethylphenoxy)ethyl]-1-thiophen-2-ylethanamine has a molecular weight of 275.42 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethylphenoxy)ethyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 55093036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).