2-[3-chloro-4-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine

C15H14Cl2FNO — CID 115984038

IUPAC2-[3-chloro-4-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine
SMILESNCCc1ccc(OCc2cccc(F)c2Cl)c(Cl)c1
InChIInChI=1S/C15H14Cl2FNO/c16-12-8-10(6-7-19)4-5-14(12)20-9-11-2-1-3-13(18)15(11)17/h1-5,8H,6-7,9,19H2
InChIKeyQEMQUSGUIATUET-UHFFFAOYSA-N
MW314.19 g/mol
LogP4.21
Rot. Bonds5

About 2-[3-chloro-4-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine

2-[3-chloro-4-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine (PubChem CID 115984038) has the molecular formula C15H14Cl2FNO and a molecular weight of 314.19 g/mol. Its IUPAC name is 2-[3-chloro-4-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-chloro-4-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine
PubChem CID115984038
Molecular FormulaC15H14Cl2FNO
Molecular Weight314.19 g/mol
Exact Mass313.04
IUPAC Name2-[3-chloro-4-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine
SMILESNCCc1ccc(OCc2cccc(F)c2Cl)c(Cl)c1
InChIInChI=1S/C15H14Cl2FNO/c16-12-8-10(6-7-19)4-5-14(12)20-9-11-2-1-3-13(18)15(11)17/h1-5,8H,6-7,9,19H2
InChIKeyQEMQUSGUIATUET-UHFFFAOYSA-N
XLogP4.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-chloro-4-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]ethanamine
CID 104794314
2-[4-[(3-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 107692529
[4-[(2-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 107686266
3-[[4-(2-aminoethyl)-2-chlorophenoxy]methyl]-2-fluorobenzonitrile
CID 107119201
2-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
CID 102619496
[3-chloro-4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]methanamine
CID 102855702
[4-[(2-chloro-3-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 115982659
2-[3-chloro-4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine
CID 114348483
1-[[2-bromo-4-(chloromethyl)phenoxy]methyl]-2-chloro-3-fluorobenzene
CID 112652538
3-[(2-chloro-3-fluorophenyl)methoxy]-4-methoxyaniline
CID 112651662
[4-[(2,3-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 107686326
2-[2-[(2-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 115984055

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine?
The IUPAC name of 2-[3-chloro-4-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine (CID 115984038) is 2-[3-chloro-4-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[3-chloro-4-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for 2-[3-chloro-4-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine is NCCc1ccc(OCc2cccc(F)c2Cl)c(Cl)c1.
What is the InChIKey of 2-[3-chloro-4-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine?
The InChIKey is QEMQUSGUIATUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FNO/c16-12-8-10(6-7-19)4-5-14(12)20-9-11-2-1-3-13(18)15(11)17/h1-5,8H,6-7,9,19H2.
What are the key properties of 2-[3-chloro-4-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine?
2-[3-chloro-4-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine has a molecular weight of 314.19 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 115984038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).