2-(2-chloro-5-methylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine

C14H16ClNOS — CID 39381817

IUPAC2-(2-chloro-5-methylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine
SMILESCc1ccc(Cl)c(OCCNCc2cccs2)c1
InChIInChI=1S/C14H16ClNOS/c1-11-4-5-13(15)14(9-11)17-7-6-16-10-12-3-2-8-18-12/h2-5,8-9,16H,6-7,10H2,1H3
InChIKeyVVOYNKHXDAKCJP-UHFFFAOYSA-N
MW281.81 g/mol
LogP3.88
Rot. Bonds6

About 2-(2-chloro-5-methylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine

2-(2-chloro-5-methylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 39381817) has the molecular formula C14H16ClNOS and a molecular weight of 281.81 g/mol. Its IUPAC name is 2-(2-chloro-5-methylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-5-methylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID39381817
Molecular FormulaC14H16ClNOS
Molecular Weight281.81 g/mol
Exact Mass281.06
IUPAC Name2-(2-chloro-5-methylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine
SMILESCc1ccc(Cl)c(OCCNCc2cccs2)c1
InChIInChI=1S/C14H16ClNOS/c1-11-4-5-13(15)14(9-11)17-7-6-16-10-12-3-2-8-18-12/h2-5,8-9,16H,6-7,10H2,1H3
InChIKeyVVOYNKHXDAKCJP-UHFFFAOYSA-N
XLogP3.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 53.88
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

2-(5-methyl-2-propan-2-ylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine
CID 54798989
N-[2-(2-chloro-5-methylphenoxy)ethyl]-2-thiophen-2-ylacetamide
CID 113102822
2-(2,6-dimethoxy-4-methylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine
CID 62599304
N-[2-(2-chloro-5-methylphenoxy)ethyl]butan-1-amine
CID 27274455
2-(2-ethylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine
CID 39361592
N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-methylbutan-1-amine
CID 62599104
N-[3-(2-chloro-5-methylphenoxy)propyl]-2-methylpropan-1-amine
CID 55211278
2-(1-chloronaphthalen-2-yl)oxy-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 59054295
7-chloro-4-[2-(thiophen-2-ylmethylamino)ethoxy]-1,3-dihydroindol-2-one
CID 10663658
N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-ethoxypropan-1-amine
CID 55093300
N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-methylaniline
CID 55195145
2-(2,5-dimethylphenyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 62538017

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine (CID 39381817) is 2-(2-chloro-5-methylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2-chloro-5-methylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(2-chloro-5-methylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine is Cc1ccc(Cl)c(OCCNCc2cccs2)c1.
What is the InChIKey of 2-(2-chloro-5-methylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is VVOYNKHXDAKCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNOS/c1-11-4-5-13(15)14(9-11)17-7-6-16-10-12-3-2-8-18-12/h2-5,8-9,16H,6-7,10H2,1H3.
What are the key properties of 2-(2-chloro-5-methylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine?
2-(2-chloro-5-methylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine has a molecular weight of 281.81 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 39381817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).