[2-[3-(2,4-difluorophenoxy)propoxy]phenyl]methanamine

C16H17F2NO2 — CID 43254007

IUPAC[2-[3-(2,4-difluorophenoxy)propoxy]phenyl]methanamine
SMILESNCc1ccccc1OCCCOc1ccc(F)cc1F
InChIInChI=1S/C16H17F2NO2/c17-13-6-7-16(14(18)10-13)21-9-3-8-20-15-5-2-1-4-12(15)11-19/h1-2,4-7,10H,3,8-9,11,19H2
InChIKeyNROWSFDWZLHLHY-UHFFFAOYSA-N
MW293.31 g/mol
LogP3.27
Rot. Bonds7

About [2-[3-(2,4-difluorophenoxy)propoxy]phenyl]methanamine

[2-[3-(2,4-difluorophenoxy)propoxy]phenyl]methanamine (PubChem CID 43254007) has the molecular formula C16H17F2NO2 and a molecular weight of 293.31 g/mol. Its IUPAC name is [2-[3-(2,4-difluorophenoxy)propoxy]phenyl]methanamine.

Molecular Properties

Compound Name[2-[3-(2,4-difluorophenoxy)propoxy]phenyl]methanamine
PubChem CID43254007
Molecular FormulaC16H17F2NO2
Molecular Weight293.31 g/mol
Exact Mass293.12
IUPAC Name[2-[3-(2,4-difluorophenoxy)propoxy]phenyl]methanamine
SMILESNCc1ccccc1OCCCOc1ccc(F)cc1F
InChIInChI=1S/C16H17F2NO2/c17-13-6-7-16(14(18)10-13)21-9-3-8-20-15-5-2-1-4-12(15)11-19/h1-2,4-7,10H,3,8-9,11,19H2
InChIKeyNROWSFDWZLHLHY-UHFFFAOYSA-N
XLogP3.27
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 53.27
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-[(2,4-difluorophenoxy)methyl]phenyl]methanamine
CID 16791044
4-(2,4-difluorophenoxy)butan-1-amine;hydrochloride
CID 86262593
5-[3-(2,4-difluorophenoxy)propoxy]pentan-1-amine
CID 82353628
5-(2,4-difluorophenoxy)-2-phenylpentan-1-amine
CID 82137950
CID 89282398
CID 89282398
2-[5-fluoro-2-(3-phenylpropoxy)phenyl]ethanamine
CID 107699954
[2-[3-(4-ethylphenoxy)propoxy]phenyl]methanamine
CID 43254053
2-(2,4-difluorophenoxy)ethanethiol
CID 79002379
2-[5-fluoro-2-(2-phenoxyethoxy)phenyl]ethanamine
CID 107700188
2-[2-(aminomethyl)phenoxy]ethanol;hydrochloride
CID 67183570
2-(2-ethyl-4-fluorophenoxy)ethanamine
CID 152850030
[2-[2-(2,4-dibromophenoxy)ethoxy]phenyl]methanamine
CID 64718432

Frequently Asked Questions

What is the IUPAC name of [2-[3-(2,4-difluorophenoxy)propoxy]phenyl]methanamine?
The IUPAC name of [2-[3-(2,4-difluorophenoxy)propoxy]phenyl]methanamine (CID 43254007) is [2-[3-(2,4-difluorophenoxy)propoxy]phenyl]methanamine.
What is the SMILES notation for [2-[3-(2,4-difluorophenoxy)propoxy]phenyl]methanamine?
The canonical SMILES for [2-[3-(2,4-difluorophenoxy)propoxy]phenyl]methanamine is NCc1ccccc1OCCCOc1ccc(F)cc1F.
What is the InChIKey of [2-[3-(2,4-difluorophenoxy)propoxy]phenyl]methanamine?
The InChIKey is NROWSFDWZLHLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO2/c17-13-6-7-16(14(18)10-13)21-9-3-8-20-15-5-2-1-4-12(15)11-19/h1-2,4-7,10H,3,8-9,11,19H2.
What are the key properties of [2-[3-(2,4-difluorophenoxy)propoxy]phenyl]methanamine?
[2-[3-(2,4-difluorophenoxy)propoxy]phenyl]methanamine has a molecular weight of 293.31 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(2,4-difluorophenoxy)propoxy]phenyl]methanamine is sourced from PubChem (CID 43254007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).