2-[5-chloro-4-[difluoro(phosphanyl)methyl]-2-methylphenoxy]-N-methylethanamine

C11H15ClF2NOP — CID 143095450

IUPAC2-[5-chloro-4-[difluoro(phosphanyl)methyl]-2-methylphenoxy]-N-methylethanamine
SMILESCNCCOc1cc(Cl)c(C(F)(F)P)cc1C
InChIInChI=1S/C11H15ClF2NOP/c1-7-5-8(11(13,14)17)9(12)6-10(7)16-4-3-15-2/h5-6,15H,3-4,17H2,1-2H3
InChIKeyYEWNNPZYOLURGZ-UHFFFAOYSA-N
MW281.67 g/mol
LogP3.17
Rot. Bonds5

About 2-[5-chloro-4-[difluoro(phosphanyl)methyl]-2-methylphenoxy]-N-methylethanamine

2-[5-chloro-4-[difluoro(phosphanyl)methyl]-2-methylphenoxy]-N-methylethanamine (PubChem CID 143095450) has the molecular formula C11H15ClF2NOP and a molecular weight of 281.67 g/mol. Its IUPAC name is 2-[5-chloro-4-[difluoro(phosphanyl)methyl]-2-methylphenoxy]-N-methylethanamine.

Molecular Properties

Compound Name2-[5-chloro-4-[difluoro(phosphanyl)methyl]-2-methylphenoxy]-N-methylethanamine
PubChem CID143095450
Molecular FormulaC11H15ClF2NOP
Molecular Weight281.67 g/mol
Exact Mass281.05
IUPAC Name2-[5-chloro-4-[difluoro(phosphanyl)methyl]-2-methylphenoxy]-N-methylethanamine
SMILESCNCCOc1cc(Cl)c(C(F)(F)P)cc1C
InChIInChI=1S/C11H15ClF2NOP/c1-7-5-8(11(13,14)17)9(12)6-10(7)16-4-3-15-2/h5-6,15H,3-4,17H2,1-2H3
InChIKeyYEWNNPZYOLURGZ-UHFFFAOYSA-N
XLogP3.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.67
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-butoxy-3-methylphenoxy)-N-methylethanamine
CID 123497187
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-methylethanamine
CID 62584526
2-(2-chloro-5-fluorophenoxy)-N-methylethanamine;hydrochloride
CID 146675459
4-[2-(methylamino)ethoxy]-3-(trifluoromethyl)benzonitrile
CID 113315524
3-(2,5-dimethylphenoxy)-N-methylpropan-1-amine
CID 23010535
2-[2-bromo-4-(trifluoromethyl)phenoxy]-N-methylethanamine
CID 115512098
2-[4-(difluoromethyl)-2-methylphenoxy]-N-methylethanamine;fluoromethane
CID 142886574
N-methyl-2-(2-methyl-5-propan-2-ylphenoxy)ethanamine
CID 61035897
2-(2,4-dichloro-6-methylphenoxy)-N-methylethanamine;hydrochloride
CID 44828457
3-(2-chloro-4,5-dimethylphenyl)-N,3-dimethylbutan-1-amine
CID 115485108
N-methyl-2-[3-methyl-5-[2-(methylamino)ethoxy]phenoxy]ethanamine
CID 123710934
N-methyl-2-(2-methylphenoxy)ethanamine;hydrochloride
CID 17178031

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-4-[difluoro(phosphanyl)methyl]-2-methylphenoxy]-N-methylethanamine?
The IUPAC name of 2-[5-chloro-4-[difluoro(phosphanyl)methyl]-2-methylphenoxy]-N-methylethanamine (CID 143095450) is 2-[5-chloro-4-[difluoro(phosphanyl)methyl]-2-methylphenoxy]-N-methylethanamine.
What is the SMILES notation for 2-[5-chloro-4-[difluoro(phosphanyl)methyl]-2-methylphenoxy]-N-methylethanamine?
The canonical SMILES for 2-[5-chloro-4-[difluoro(phosphanyl)methyl]-2-methylphenoxy]-N-methylethanamine is CNCCOc1cc(Cl)c(C(F)(F)P)cc1C.
What is the InChIKey of 2-[5-chloro-4-[difluoro(phosphanyl)methyl]-2-methylphenoxy]-N-methylethanamine?
The InChIKey is YEWNNPZYOLURGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClF2NOP/c1-7-5-8(11(13,14)17)9(12)6-10(7)16-4-3-15-2/h5-6,15H,3-4,17H2,1-2H3.
What are the key properties of 2-[5-chloro-4-[difluoro(phosphanyl)methyl]-2-methylphenoxy]-N-methylethanamine?
2-[5-chloro-4-[difluoro(phosphanyl)methyl]-2-methylphenoxy]-N-methylethanamine has a molecular weight of 281.67 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-4-[difluoro(phosphanyl)methyl]-2-methylphenoxy]-N-methylethanamine is sourced from PubChem (CID 143095450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).