2-(2,4-difluorophenoxy)-N-methylethanamine;hydrochloride

C9H12ClF2NO — CID 86262296

IUPAC2-(2,4-difluorophenoxy)-N-methylethanamine;hydrochloride
SMILESCNCCOc1ccc(F)cc1F.Cl
InChIInChI=1S/C9H11F2NO.ClH/c1-12-4-5-13-9-3-2-7(10)6-8(9)11;/h2-3,6,12H,4-5H2,1H3;1H
InChIKeyZZABSYQEMQGEMJ-UHFFFAOYSA-N
MW223.65 g/mol
LogP1.98
Rot. Bonds4

About 2-(2,4-difluorophenoxy)-N-methylethanamine;hydrochloride

2-(2,4-difluorophenoxy)-N-methylethanamine;hydrochloride (PubChem CID 86262296) has the molecular formula C9H12ClF2NO and a molecular weight of 223.65 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-N-methylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-N-methylethanamine;hydrochloride
PubChem CID86262296
Molecular FormulaC9H12ClF2NO
Molecular Weight223.65 g/mol
Exact Mass223.06
IUPAC Name2-(2,4-difluorophenoxy)-N-methylethanamine;hydrochloride
SMILESCNCCOc1ccc(F)cc1F.Cl
InChIInChI=1S/C9H11F2NO.ClH/c1-12-4-5-13-9-3-2-7(10)6-8(9)11;/h2-3,6,12H,4-5H2,1H3;1H
InChIKeyZZABSYQEMQGEMJ-UHFFFAOYSA-N
XLogP1.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.65
LogP ≤ 51.98
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

2-(2-chloro-5-fluorophenoxy)-N-methylethanamine;hydrochloride
CID 146675459
N-[2-(2,4-difluorophenoxy)ethyl]-3-methylbutan-2-amine
CID 55088305
2-butoxy-N-[2-(2,4-difluorophenoxy)ethyl]ethanamine
CID 55088257
N-[2-(2,4-difluorophenoxy)ethyl]-2-methylbutan-2-amine
CID 62572855
CID 89282398
CID 89282398
5-fluoro-2-[2-(methylamino)ethoxy]benzamide
CID 63675006
N-[2-(2,4-difluorophenoxy)ethyl]propanamide
CID 113102310
4-(2,4-difluorophenoxy)butan-1-amine;hydrochloride
CID 86262593
4-(2,4-difluorophenoxy)-2-methylbutan-2-ol
CID 79360243
(E)-4-(2,4-difluorophenoxy)-N-methylbut-2-en-1-amine
CID 112547474
N-[2-(2,4-difluorophenoxy)ethyl]cyclopentanamine
CID 62570847
2-(2,4-difluorophenoxy)ethanethiol
CID 79002379

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-N-methylethanamine;hydrochloride?
The IUPAC name of 2-(2,4-difluorophenoxy)-N-methylethanamine;hydrochloride (CID 86262296) is 2-(2,4-difluorophenoxy)-N-methylethanamine;hydrochloride.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-N-methylethanamine;hydrochloride?
The canonical SMILES for 2-(2,4-difluorophenoxy)-N-methylethanamine;hydrochloride is CNCCOc1ccc(F)cc1F.Cl.
What is the InChIKey of 2-(2,4-difluorophenoxy)-N-methylethanamine;hydrochloride?
The InChIKey is ZZABSYQEMQGEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO.ClH/c1-12-4-5-13-9-3-2-7(10)6-8(9)11;/h2-3,6,12H,4-5H2,1H3;1H.
What are the key properties of 2-(2,4-difluorophenoxy)-N-methylethanamine;hydrochloride?
2-(2,4-difluorophenoxy)-N-methylethanamine;hydrochloride has a molecular weight of 223.65 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-N-methylethanamine;hydrochloride is sourced from PubChem (CID 86262296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).