2-(2-chloro-5-fluorophenoxy)-N-methylethanamine;hydrochloride

C9H12Cl2FNO — CID 146675459

IUPAC2-(2-chloro-5-fluorophenoxy)-N-methylethanamine;hydrochloride
SMILESCNCCOc1cc(F)ccc1Cl.Cl
InChIInChI=1S/C9H11ClFNO.ClH/c1-12-4-5-13-9-6-7(11)2-3-8(9)10;/h2-3,6,12H,4-5H2,1H3;1H
InChIKeyXCWYBNIVGZLBGA-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.50
Rot. Bonds4

About 2-(2-chloro-5-fluorophenoxy)-N-methylethanamine;hydrochloride

2-(2-chloro-5-fluorophenoxy)-N-methylethanamine;hydrochloride (PubChem CID 146675459) has the molecular formula C9H12Cl2FNO and a molecular weight of 240.10 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenoxy)-N-methylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenoxy)-N-methylethanamine;hydrochloride
PubChem CID146675459
Molecular FormulaC9H12Cl2FNO
Molecular Weight240.10 g/mol
Exact Mass239.03
IUPAC Name2-(2-chloro-5-fluorophenoxy)-N-methylethanamine;hydrochloride
SMILESCNCCOc1cc(F)ccc1Cl.Cl
InChIInChI=1S/C9H11ClFNO.ClH/c1-12-4-5-13-9-6-7(11)2-3-8(9)10;/h2-3,6,12H,4-5H2,1H3;1H
InChIKeyXCWYBNIVGZLBGA-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.50
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-(2,4-difluorophenoxy)-N-methylethanamine;hydrochloride
CID 86262296
1-chloro-2-ethoxy-4-fluorobenzene
CID 2773702
1-chloro-4-fluoro-2-octoxybenzene
CID 114264358
N-[2-(2,5-dichlorophenoxy)ethyl]-4-fluoroaniline
CID 63505890
methyl N-[2-(2-chloro-4-fluorophenoxy)ethyl]carbamate
CID 113102971
3-(3-chloro-2-fluorophenoxy)-N-methylpropan-1-amine
CID 116689634
5-(2,5-difluorophenoxy)-N-methylpentan-1-amine
CID 63273148
N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-fluoroaniline
CID 63516051
2-[3-(2-chloro-5-methylphenoxy)propoxy]-N-methylethanamine
CID 82353992
5-(2-chloro-5-methylphenoxy)-N-methylpentan-1-amine
CID 62485519
5-fluoro-2-[2-(methylamino)ethoxy]benzamide
CID 63675006
1-chloro-2-(2,2-difluoroethoxy)-4-fluorobenzene
CID 130501614

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenoxy)-N-methylethanamine;hydrochloride?
The IUPAC name of 2-(2-chloro-5-fluorophenoxy)-N-methylethanamine;hydrochloride (CID 146675459) is 2-(2-chloro-5-fluorophenoxy)-N-methylethanamine;hydrochloride.
What is the SMILES notation for 2-(2-chloro-5-fluorophenoxy)-N-methylethanamine;hydrochloride?
The canonical SMILES for 2-(2-chloro-5-fluorophenoxy)-N-methylethanamine;hydrochloride is CNCCOc1cc(F)ccc1Cl.Cl.
What is the InChIKey of 2-(2-chloro-5-fluorophenoxy)-N-methylethanamine;hydrochloride?
The InChIKey is XCWYBNIVGZLBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO.ClH/c1-12-4-5-13-9-6-7(11)2-3-8(9)10;/h2-3,6,12H,4-5H2,1H3;1H.
What are the key properties of 2-(2-chloro-5-fluorophenoxy)-N-methylethanamine;hydrochloride?
2-(2-chloro-5-fluorophenoxy)-N-methylethanamine;hydrochloride has a molecular weight of 240.10 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluorophenoxy)-N-methylethanamine;hydrochloride is sourced from PubChem (CID 146675459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).