1-(3,5-difluorophenyl)-N-methoxyethanamine

C9H11F2NO — CID 82706905

IUPAC1-(3,5-difluorophenyl)-N-methoxyethanamine
SMILESCONC(C)c1cc(F)cc(F)c1
InChIInChI=1S/C9H11F2NO/c1-6(12-13-2)7-3-8(10)5-9(11)4-7/h3-6,12H,1-2H3
InChIKeyMTMQAROAGREXEO-UHFFFAOYSA-N
MW187.19 g/mol
LogP2.18
Rot. Bonds3

About 1-(3,5-difluorophenyl)-N-methoxyethanamine

1-(3,5-difluorophenyl)-N-methoxyethanamine (PubChem CID 82706905) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-N-methoxyethanamine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-N-methoxyethanamine
PubChem CID82706905
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name1-(3,5-difluorophenyl)-N-methoxyethanamine
SMILESCONC(C)c1cc(F)cc(F)c1
InChIInChI=1S/C9H11F2NO/c1-6(12-13-2)7-3-8(10)5-9(11)4-7/h3-6,12H,1-2H3
InChIKeyMTMQAROAGREXEO-UHFFFAOYSA-N
XLogP2.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-4-fluorophenyl)-N-methoxyethanamine
CID 78968847
N-[(1R)-1-(3,5-difluorophenyl)ethyl]propan-2-amine
CID 97051252
N-methoxy-1-(4-methoxyphenyl)ethanamine
CID 82706779
4-bromo-N-[1-(3,5-difluorophenyl)ethyl]-3-methoxyaniline
CID 82857420
N-[1-(3,5-difluorophenyl)ethyl]-3-methoxycyclobutan-1-amine
CID 113429569
N-[1-(3,5-difluorophenyl)ethyl]but-3-yn-2-amine
CID 114415397
1-(4-ethylphenyl)-N-methoxyethanamine
CID 82706514
N-methoxy-1-(3-methylphenyl)ethanamine
CID 79039060
N-[1-(3,5-difluorophenyl)ethyl]but-2-yn-1-amine
CID 115897018
(1S)-1-(4-chlorophenyl)-N-[1-(3,5-difluorophenyl)ethyl]ethanamine
CID 81352116
N-[(1S)-1-(3,5-difluorophenyl)ethyl]-3-methylpentan-3-amine
CID 134331308
3-bromo-N-[1-(3,5-difluorophenyl)ethyl]-4-fluoroaniline
CID 104775807

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-N-methoxyethanamine?
The IUPAC name of 1-(3,5-difluorophenyl)-N-methoxyethanamine (CID 82706905) is 1-(3,5-difluorophenyl)-N-methoxyethanamine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-N-methoxyethanamine?
The canonical SMILES for 1-(3,5-difluorophenyl)-N-methoxyethanamine is CONC(C)c1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-N-methoxyethanamine?
The InChIKey is MTMQAROAGREXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO/c1-6(12-13-2)7-3-8(10)5-9(11)4-7/h3-6,12H,1-2H3.
What are the key properties of 1-(3,5-difluorophenyl)-N-methoxyethanamine?
1-(3,5-difluorophenyl)-N-methoxyethanamine has a molecular weight of 187.19 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-N-methoxyethanamine is sourced from PubChem (CID 82706905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).