3-(2,6-difluorophenoxy)-N-methylpropan-1-amine

C10H13F2NO — CID 81269290

IUPAC3-(2,6-difluorophenoxy)-N-methylpropan-1-amine
SMILESCNCCCOc1c(F)cccc1F
InChIInChI=1S/C10H13F2NO/c1-13-6-3-7-14-10-8(11)4-2-5-9(10)12/h2,4-5,13H,3,6-7H2,1H3
InChIKeyBQHAFTXEVNCIIW-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.95
Rot. Bonds5

About 3-(2,6-difluorophenoxy)-N-methylpropan-1-amine

3-(2,6-difluorophenoxy)-N-methylpropan-1-amine (PubChem CID 81269290) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 3-(2,6-difluorophenoxy)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2,6-difluorophenoxy)-N-methylpropan-1-amine
PubChem CID81269290
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name3-(2,6-difluorophenoxy)-N-methylpropan-1-amine
SMILESCNCCCOc1c(F)cccc1F
InChIInChI=1S/C10H13F2NO/c1-13-6-3-7-14-10-8(11)4-2-5-9(10)12/h2,4-5,13H,3,6-7H2,1H3
InChIKeyBQHAFTXEVNCIIW-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2,6-difluorophenoxy)-N-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2,6-difluorophenoxy)ethyl]-2-methoxyethanamine
CID 81269641
3-(2,6-difluorophenoxy)propan-1-ol
CID 112728266
N-methyl-4-(2,3,5,6-tetrafluorophenoxy)butan-1-amine
CID 103290253
5-(2-fluorophenoxy)-N-methylpentan-1-amine
CID 62453005
N-[2-(2,6-difluorophenoxy)ethyl]cyclopropanamine
CID 81268990
N-[3-(2,6-difluorophenoxy)propyl]cyclohexanamine
CID 81269341
6-(2,6-difluorophenoxy)hexan-1-amine
CID 68648906
2-(6-chlorohexoxy)-1,3-difluorobenzene
CID 81268506
2-(2,6-difluorophenoxy)-N-(2-methylsulfonylethyl)ethanamine
CID 81270109
1-[3-fluoro-2-(4-methoxybutoxy)phenyl]-N-methylmethanamine
CID 104647167
N-[(2-butoxy-3-fluorophenyl)methyl]propan-1-amine
CID 112609722
3-(3-chloro-2-fluorophenoxy)-N-methylpropan-1-amine
CID 116689634

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenoxy)-N-methylpropan-1-amine?
The IUPAC name of 3-(2,6-difluorophenoxy)-N-methylpropan-1-amine (CID 81269290) is 3-(2,6-difluorophenoxy)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(2,6-difluorophenoxy)-N-methylpropan-1-amine?
The canonical SMILES for 3-(2,6-difluorophenoxy)-N-methylpropan-1-amine is CNCCCOc1c(F)cccc1F.
What is the InChIKey of 3-(2,6-difluorophenoxy)-N-methylpropan-1-amine?
The InChIKey is BQHAFTXEVNCIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-13-6-3-7-14-10-8(11)4-2-5-9(10)12/h2,4-5,13H,3,6-7H2,1H3.
What are the key properties of 3-(2,6-difluorophenoxy)-N-methylpropan-1-amine?
3-(2,6-difluorophenoxy)-N-methylpropan-1-amine has a molecular weight of 201.22 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenoxy)-N-methylpropan-1-amine is sourced from PubChem (CID 81269290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).