1-[2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine

C15H15ClFNO — CID 112651722

IUPAC1-[2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine
SMILESCC(N)c1ccccc1OCc1cccc(F)c1Cl
InChIInChI=1S/C15H15ClFNO/c1-10(18)12-6-2-3-8-14(12)19-9-11-5-4-7-13(17)15(11)16/h2-8,10H,9,18H2,1H3
InChIKeyXAWICBCHZAXQDZ-UHFFFAOYSA-N
MW279.74 g/mol
LogP4.08
Rot. Bonds4

About 1-[2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine

1-[2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine (PubChem CID 112651722) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 1-[2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine
PubChem CID112651722
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name1-[2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine
SMILESCC(N)c1ccccc1OCc1cccc(F)c1Cl
InChIInChI=1S/C15H15ClFNO/c1-10(18)12-6-2-3-8-14(12)19-9-11-5-4-7-13(17)15(11)16/h2-8,10H,9,18H2,1H3
InChIKeyXAWICBCHZAXQDZ-UHFFFAOYSA-N
XLogP4.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(naphthalen-1-ylmethoxy)phenyl]ethanamine
CID 60880695
(1S)-1-[2-[(2-methylphenyl)methoxy]phenyl]ethanamine
CID 30079943
(1R)-1-[2-[(2,5-dichlorophenyl)methoxy]phenyl]ethanamine
CID 79005256
1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 60880694
(1R)-1-[5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanol
CID 103954685
1-[5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 115984032
2-chloro-1-fluoro-3-[(2-iodophenoxy)methyl]benzene
CID 112652323
(1S)-1-[2-[(2-chloro-3-fluorophenyl)methoxy]-4-fluorophenyl]ethanol
CID 103954698
(1S)-1-[2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]ethanamine
CID 78936759
1-[2-fluoro-6-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 63935120
[2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]-trifluoroboranuide
CID 115983156
1-[2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine
CID 114345723

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine?
The IUPAC name of 1-[2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine (CID 112651722) is 1-[2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 1-[2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for 1-[2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine is CC(N)c1ccccc1OCc1cccc(F)c1Cl.
What is the InChIKey of 1-[2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine?
The InChIKey is XAWICBCHZAXQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-10(18)12-6-2-3-8-14(12)19-9-11-5-4-7-13(17)15(11)16/h2-8,10H,9,18H2,1H3.
What are the key properties of 1-[2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine?
1-[2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine has a molecular weight of 279.74 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 112651722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).