2-(2,5-difluorophenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine

C14H15F2NOS — CID 63273329

IUPAC2-(2,5-difluorophenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
SMILESCc1ccsc1CNCCOc1cc(F)ccc1F
InChIInChI=1S/C14H15F2NOS/c1-10-4-7-19-14(10)9-17-5-6-18-13-8-11(15)2-3-12(13)16/h2-4,7-8,17H,5-6,9H2,1H3
InChIKeyOXNDZNTVESDMTO-UHFFFAOYSA-N
MW283.34 g/mol
LogP3.50
Rot. Bonds6

About 2-(2,5-difluorophenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine

2-(2,5-difluorophenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine (PubChem CID 63273329) has the molecular formula C14H15F2NOS and a molecular weight of 283.34 g/mol. Its IUPAC name is 2-(2,5-difluorophenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2,5-difluorophenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
PubChem CID63273329
Molecular FormulaC14H15F2NOS
Molecular Weight283.34 g/mol
Exact Mass283.08
IUPAC Name2-(2,5-difluorophenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
SMILESCc1ccsc1CNCCOc1cc(F)ccc1F
InChIInChI=1S/C14H15F2NOS/c1-10-4-7-19-14(10)9-17-5-6-18-13-8-11(15)2-3-12(13)16/h2-4,7-8,17H,5-6,9H2,1H3
InChIKeyOXNDZNTVESDMTO-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 53.50
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-(3-fluoro-4-methylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 107170989
2-(2,4-dimethylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 60664869
2-(2-methyl-5-propan-2-ylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 63515590
2-methoxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 4720503
N-benzyl-2-(2,5-difluorophenoxy)ethanamine
CID 63273196
2-(2,6-dibromophenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 63505783
N-(cyclopropylmethyl)-2-(2,5-difluorophenoxy)ethanamine
CID 63273332
N-[2-(5-fluoro-2-methylphenoxy)ethyl]-2-methylpropan-1-amine
CID 102986518
1-(2-bromo-4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 78971593
N-[2-(5-fluoro-2-methylphenoxy)ethyl]-2-methoxyethanamine
CID 102987264
2-(2-methylpropoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 60957602
2-(2-butoxyethoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 62597124

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 2-(2,5-difluorophenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine (CID 63273329) is 2-(2,5-difluorophenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(2,5-difluorophenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(2,5-difluorophenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine is Cc1ccsc1CNCCOc1cc(F)ccc1F.
What is the InChIKey of 2-(2,5-difluorophenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
The InChIKey is OXNDZNTVESDMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NOS/c1-10-4-7-19-14(10)9-17-5-6-18-13-8-11(15)2-3-12(13)16/h2-4,7-8,17H,5-6,9H2,1H3.
What are the key properties of 2-(2,5-difluorophenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
2-(2,5-difluorophenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine has a molecular weight of 283.34 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 63273329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).