2-[2-(2-chloro-4,5-difluorophenyl)ethoxy]-N-methylethanamine

C11H14ClF2NO — CID 107477800

IUPAC2-[2-(2-chloro-4,5-difluorophenyl)ethoxy]-N-methylethanamine
SMILESCNCCOCCc1cc(F)c(F)cc1Cl
InChIInChI=1S/C11H14ClF2NO/c1-15-3-5-16-4-2-8-6-10(13)11(14)7-9(8)12/h6-7,15H,2-5H2,1H3
InChIKeyLPCNQGIDSUPMAB-UHFFFAOYSA-N
MW249.69 g/mol
LogP2.40
Rot. Bonds6

About 2-[2-(2-chloro-4,5-difluorophenyl)ethoxy]-N-methylethanamine

2-[2-(2-chloro-4,5-difluorophenyl)ethoxy]-N-methylethanamine (PubChem CID 107477800) has the molecular formula C11H14ClF2NO and a molecular weight of 249.69 g/mol. Its IUPAC name is 2-[2-(2-chloro-4,5-difluorophenyl)ethoxy]-N-methylethanamine.

Molecular Properties

Compound Name2-[2-(2-chloro-4,5-difluorophenyl)ethoxy]-N-methylethanamine
PubChem CID107477800
Molecular FormulaC11H14ClF2NO
Molecular Weight249.69 g/mol
Exact Mass249.07
IUPAC Name2-[2-(2-chloro-4,5-difluorophenyl)ethoxy]-N-methylethanamine
SMILESCNCCOCCc1cc(F)c(F)cc1Cl
InChIInChI=1S/C11H14ClF2NO/c1-15-3-5-16-4-2-8-6-10(13)11(14)7-9(8)12/h6-7,15H,2-5H2,1H3
InChIKeyLPCNQGIDSUPMAB-UHFFFAOYSA-N
XLogP2.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.69
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2,5-dichlorophenyl)ethoxy]-N-methylethanamine
CID 65303071
2-[2-(2-chloro-4,5-diethoxyphenyl)ethoxy]-N-methylethanamine
CID 65302814
2-[2-(2-fluoro-4,5-dimethoxyphenyl)ethoxy]-N-methylethanamine
CID 65304742
3-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpropan-1-amine
CID 116924706
4-(2-chloro-5-fluoro-4-methylphenyl)-N-methylbutan-1-amine
CID 116924844
N-methyl-2-(2,4,5-trifluorophenyl)ethanamine
CID 84661887
2-(2-chloro-4,5-difluorophenyl)ethanamine;hydrochloride
CID 86091425
N-[2-[2-(2-chloro-4,5-dimethoxyphenyl)ethoxy]ethyl]-2-methoxyethanamine
CID 65303519
N-methyl-2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 146243407
2-[2-(2,4,5-trifluorophenyl)ethoxy]ethanamine
CID 103304871
2-[(2,5-difluorophenyl)methoxy]-N-methylethanamine
CID 62335881
2-(2,4-dichloro-5-methoxyphenyl)-N-methylethanamine
CID 83895894

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloro-4,5-difluorophenyl)ethoxy]-N-methylethanamine?
The IUPAC name of 2-[2-(2-chloro-4,5-difluorophenyl)ethoxy]-N-methylethanamine (CID 107477800) is 2-[2-(2-chloro-4,5-difluorophenyl)ethoxy]-N-methylethanamine.
What is the SMILES notation for 2-[2-(2-chloro-4,5-difluorophenyl)ethoxy]-N-methylethanamine?
The canonical SMILES for 2-[2-(2-chloro-4,5-difluorophenyl)ethoxy]-N-methylethanamine is CNCCOCCc1cc(F)c(F)cc1Cl.
What is the InChIKey of 2-[2-(2-chloro-4,5-difluorophenyl)ethoxy]-N-methylethanamine?
The InChIKey is LPCNQGIDSUPMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF2NO/c1-15-3-5-16-4-2-8-6-10(13)11(14)7-9(8)12/h6-7,15H,2-5H2,1H3.
What are the key properties of 2-[2-(2-chloro-4,5-difluorophenyl)ethoxy]-N-methylethanamine?
2-[2-(2-chloro-4,5-difluorophenyl)ethoxy]-N-methylethanamine has a molecular weight of 249.69 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloro-4,5-difluorophenyl)ethoxy]-N-methylethanamine is sourced from PubChem (CID 107477800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).