2-[3,5-dichloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine

C15H13Cl3FNO — CID 103049271

IUPAC2-[3,5-dichloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine
SMILESNCCc1cc(Cl)cc(Cl)c1OCc1cc(Cl)ccc1F
InChIInChI=1S/C15H13Cl3FNO/c16-11-1-2-14(19)10(6-11)8-21-15-9(3-4-20)5-12(17)7-13(15)18/h1-2,5-7H,3-4,8,20H2
InChIKeyOMJFOPGOAJKQJB-UHFFFAOYSA-N
MW348.63 g/mol
LogP4.87
Rot. Bonds5

About 2-[3,5-dichloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine

2-[3,5-dichloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine (PubChem CID 103049271) has the molecular formula C15H13Cl3FNO and a molecular weight of 348.63 g/mol. Its IUPAC name is 2-[3,5-dichloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[3,5-dichloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine
PubChem CID103049271
Molecular FormulaC15H13Cl3FNO
Molecular Weight348.63 g/mol
Exact Mass347.00
IUPAC Name2-[3,5-dichloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine
SMILESNCCc1cc(Cl)cc(Cl)c1OCc1cc(Cl)ccc1F
InChIInChI=1S/C15H13Cl3FNO/c16-11-1-2-14(19)10(6-11)8-21-15-9(3-4-20)5-12(17)7-13(15)18/h1-2,5-7H,3-4,8,20H2
InChIKeyOMJFOPGOAJKQJB-UHFFFAOYSA-N
XLogP4.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.63
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3,5-dichloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]methanol
CID 103046936
2-[3,5-dichloro-2-(3-fluoropropoxy)phenyl]ethanamine
CID 81114613
2-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]ethanamine
CID 60922555
2-[3,5-dichloro-2-(thiophen-2-ylmethoxy)phenyl]ethanamine
CID 54930333
2-(5-chloro-2-fluorophenyl)ethanamine
CID 53403693
2-[2-[(5-bromothiophen-2-yl)methoxy]-3,5-dichlorophenyl]ethanamine
CID 63421158
[3,5-dichloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methanamine
CID 103037818
1-chloro-2-[(5-chloro-2-fluorophenyl)methoxy]-3-(chloromethyl)benzene
CID 103047074
2-[2-[(5-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanamine
CID 60904821
2-[3-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]ethanamine
CID 115957801
2-[3,5-dichloro-2-(2-methylprop-2-enoxy)phenyl]ethanamine
CID 60905717
[3-chloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]methanol
CID 103046982

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dichloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine?
The IUPAC name of 2-[3,5-dichloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine (CID 103049271) is 2-[3,5-dichloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[3,5-dichloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for 2-[3,5-dichloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine is NCCc1cc(Cl)cc(Cl)c1OCc1cc(Cl)ccc1F.
What is the InChIKey of 2-[3,5-dichloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine?
The InChIKey is OMJFOPGOAJKQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3FNO/c16-11-1-2-14(19)10(6-11)8-21-15-9(3-4-20)5-12(17)7-13(15)18/h1-2,5-7H,3-4,8,20H2.
What are the key properties of 2-[3,5-dichloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine?
2-[3,5-dichloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine has a molecular weight of 348.63 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dichloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 103049271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).