2-[3-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]ethanamine

C15H14ClF2NO — CID 115957801

IUPAC2-[3-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]ethanamine
SMILESNCCc1cccc(Cl)c1OCc1cccc(F)c1F
InChIInChI=1S/C15H14ClF2NO/c16-12-5-1-3-10(7-8-19)15(12)20-9-11-4-2-6-13(17)14(11)18/h1-6H,7-9,19H2
InChIKeyCWFAXLSRESKTLS-UHFFFAOYSA-N
MW297.73 g/mol
LogP3.70
Rot. Bonds5

About 2-[3-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]ethanamine

2-[3-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]ethanamine (PubChem CID 115957801) has the molecular formula C15H14ClF2NO and a molecular weight of 297.73 g/mol. Its IUPAC name is 2-[3-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]ethanamine
PubChem CID115957801
Molecular FormulaC15H14ClF2NO
Molecular Weight297.73 g/mol
Exact Mass297.07
IUPAC Name2-[3-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]ethanamine
SMILESNCCc1cccc(Cl)c1OCc1cccc(F)c1F
InChIInChI=1S/C15H14ClF2NO/c16-12-5-1-3-10(7-8-19)15(12)20-9-11-4-2-6-13(17)14(11)18/h1-6H,7-9,19H2
InChIKeyCWFAXLSRESKTLS-UHFFFAOYSA-N
XLogP3.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.73
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[(2-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 115984055
N-[[3-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 115953026
2-[4-[(3-chloro-2-fluorophenyl)methoxy]-3,5-difluorophenyl]ethanamine
CID 102858122
2-[3-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine
CID 115957754
[3-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methanamine
CID 112607809
2-[3-chloro-2-(3,3,3-trifluoropropoxy)phenyl]ethanamine
CID 112614997
[2-[(5-bromo-2-fluorophenyl)methoxy]-3-chlorophenyl]methanamine
CID 112607692
2-[2-[(3-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethanamine
CID 107699919
2-[3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine
CID 112615109
2-[3,5-dichloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine
CID 103049271
1-chloro-2-[(5-chloro-2-fluorophenyl)methoxy]-3-(chloromethyl)benzene
CID 103047074
2-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
CID 112614778

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]ethanamine?
The IUPAC name of 2-[3-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]ethanamine (CID 115957801) is 2-[3-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[3-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for 2-[3-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]ethanamine is NCCc1cccc(Cl)c1OCc1cccc(F)c1F.
What is the InChIKey of 2-[3-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]ethanamine?
The InChIKey is CWFAXLSRESKTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NO/c16-12-5-1-3-10(7-8-19)15(12)20-9-11-4-2-6-13(17)14(11)18/h1-6H,7-9,19H2.
What are the key properties of 2-[3-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]ethanamine?
2-[3-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]ethanamine has a molecular weight of 297.73 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 115957801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).