2-[(2,5-difluorophenyl)methoxy]-N-methylethanamine

C10H13F2NO — CID 62335881

IUPAC2-[(2,5-difluorophenyl)methoxy]-N-methylethanamine
SMILESCNCCOCc1cc(F)ccc1F
InChIInChI=1S/C10H13F2NO/c1-13-4-5-14-7-8-6-9(11)2-3-10(8)12/h2-3,6,13H,4-5,7H2,1H3
InChIKeyQAVFHEKUURUKHI-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.70
Rot. Bonds5

About 2-[(2,5-difluorophenyl)methoxy]-N-methylethanamine

2-[(2,5-difluorophenyl)methoxy]-N-methylethanamine (PubChem CID 62335881) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-[(2,5-difluorophenyl)methoxy]-N-methylethanamine.

Molecular Properties

Compound Name2-[(2,5-difluorophenyl)methoxy]-N-methylethanamine
PubChem CID62335881
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-[(2,5-difluorophenyl)methoxy]-N-methylethanamine
SMILESCNCCOCc1cc(F)ccc1F
InChIInChI=1S/C10H13F2NO/c1-13-4-5-14-7-8-6-9(11)2-3-10(8)12/h2-3,6,13H,4-5,7H2,1H3
InChIKeyQAVFHEKUURUKHI-UHFFFAOYSA-N
XLogP1.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,4-difluoro-2-[2-(4-methylphenoxy)ethoxymethyl]benzene
CID 58376810
N-[(2,5-difluorophenyl)methyl]-2-ethoxyethanamine
CID 43590720
1-[(2,5-difluorophenyl)methoxy]-2-methylpropan-2-amine
CID 64537606
N-[2-[(5-fluoro-2-methylphenyl)methoxy]ethyl]propan-2-amine
CID 105372265
5-(2,5-difluorophenyl)-N-methylpent-3-en-1-amine
CID 79593591
1,4-difluoro-2-(propan-2-yloxymethyl)benzene
CID 58479340
2-(2,4-difluorophenoxy)-N-methylethanamine;hydrochloride
CID 86262296
2-[(3-bromo-2,6-difluorophenyl)methoxy]-N-methylethanamine
CID 106264551
2-[2-(2-fluoro-4,5-dimethoxyphenyl)ethoxy]-N-methylethanamine
CID 65304742
2-[2-(ethylamino)ethoxymethyl]-4-fluorobenzonitrile
CID 107906413
2-[4-[(2,5-difluorophenyl)methoxy]butoxy]-5-ethoxyaniline
CID 25004056
1-[3,5-dibromo-4-[(2,5-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 107741643

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-difluorophenyl)methoxy]-N-methylethanamine?
The IUPAC name of 2-[(2,5-difluorophenyl)methoxy]-N-methylethanamine (CID 62335881) is 2-[(2,5-difluorophenyl)methoxy]-N-methylethanamine.
What is the SMILES notation for 2-[(2,5-difluorophenyl)methoxy]-N-methylethanamine?
The canonical SMILES for 2-[(2,5-difluorophenyl)methoxy]-N-methylethanamine is CNCCOCc1cc(F)ccc1F.
What is the InChIKey of 2-[(2,5-difluorophenyl)methoxy]-N-methylethanamine?
The InChIKey is QAVFHEKUURUKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-13-4-5-14-7-8-6-9(11)2-3-10(8)12/h2-3,6,13H,4-5,7H2,1H3.
What are the key properties of 2-[(2,5-difluorophenyl)methoxy]-N-methylethanamine?
2-[(2,5-difluorophenyl)methoxy]-N-methylethanamine has a molecular weight of 201.22 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-difluorophenyl)methoxy]-N-methylethanamine is sourced from PubChem (CID 62335881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).