(1R)-1-[2-[(2,6-dichlorophenyl)methoxy]-4-fluorophenyl]ethanamine

C15H14Cl2FNO — CID 63368063

IUPAC(1R)-1-[2-[(2,6-dichlorophenyl)methoxy]-4-fluorophenyl]ethanamine
SMILESC[C@@H](N)c1ccc(F)cc1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C15H14Cl2FNO/c1-9(19)11-6-5-10(18)7-15(11)20-8-12-13(16)3-2-4-14(12)17/h2-7,9H,8,19H2,1H3/t9-/m1/s1
InChIKeyUTAHLOTZDWKRLE-SECBINFHSA-N
MW314.19 g/mol
LogP4.73
Rot. Bonds4

About (1R)-1-[2-[(2,6-dichlorophenyl)methoxy]-4-fluorophenyl]ethanamine

(1R)-1-[2-[(2,6-dichlorophenyl)methoxy]-4-fluorophenyl]ethanamine (PubChem CID 63368063) has the molecular formula C15H14Cl2FNO and a molecular weight of 314.19 g/mol. Its IUPAC name is (1R)-1-[2-[(2,6-dichlorophenyl)methoxy]-4-fluorophenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-[(2,6-dichlorophenyl)methoxy]-4-fluorophenyl]ethanamine
PubChem CID63368063
Molecular FormulaC15H14Cl2FNO
Molecular Weight314.19 g/mol
Exact Mass313.04
IUPAC Name(1R)-1-[2-[(2,6-dichlorophenyl)methoxy]-4-fluorophenyl]ethanamine
SMILESC[C@@H](N)c1ccc(F)cc1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C15H14Cl2FNO/c1-9(19)11-6-5-10(18)7-15(11)20-8-12-13(16)3-2-4-14(12)17/h2-7,9H,8,19H2,1H3/t9-/m1/s1
InChIKeyUTAHLOTZDWKRLE-SECBINFHSA-N
XLogP4.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-[(3,4-dichlorophenyl)methoxy]-4-fluorophenyl]ethanamine
CID 78936076
(1S)-1-[5-chloro-2-[(2,6-dichlorophenyl)methoxy]phenyl]ethanamine
CID 63485360
(1R)-1-[2-[(3,5-difluorophenyl)methoxy]-4-fluorophenyl]ethanamine
CID 105402600
(1S)-1-[2-[(4-bromo-2-chlorophenyl)methoxy]-4-fluorophenyl]ethanamine
CID 104862272
(1R)-1-[2-[(3,4-difluorophenyl)methoxy]-4-fluorophenyl]ethanamine
CID 82919188
(1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanamine
CID 78936109
1-[5-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethanamine
CID 62370026
[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]methanamine
CID 107694925
1-[4-fluoro-2-(thiophen-3-ylmethoxy)phenyl]ethanamine
CID 63066366
1-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]propan-2-ol
CID 63368001
1-[2-[(2,6-difluorophenyl)methoxy]-4-fluorophenyl]ethanol
CID 114930534
(1S)-1-[2-[(2,6-dichlorophenyl)methoxy]phenyl]propan-1-amine
CID 78944066

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[(2,6-dichlorophenyl)methoxy]-4-fluorophenyl]ethanamine?
The IUPAC name of (1R)-1-[2-[(2,6-dichlorophenyl)methoxy]-4-fluorophenyl]ethanamine (CID 63368063) is (1R)-1-[2-[(2,6-dichlorophenyl)methoxy]-4-fluorophenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-[(2,6-dichlorophenyl)methoxy]-4-fluorophenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-[(2,6-dichlorophenyl)methoxy]-4-fluorophenyl]ethanamine is C[C@@H](N)c1ccc(F)cc1OCc1c(Cl)cccc1Cl.
What is the InChIKey of (1R)-1-[2-[(2,6-dichlorophenyl)methoxy]-4-fluorophenyl]ethanamine?
The InChIKey is UTAHLOTZDWKRLE-SECBINFHSA-N. The full InChI is InChI=1S/C15H14Cl2FNO/c1-9(19)11-6-5-10(18)7-15(11)20-8-12-13(16)3-2-4-14(12)17/h2-7,9H,8,19H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-[2-[(2,6-dichlorophenyl)methoxy]-4-fluorophenyl]ethanamine?
(1R)-1-[2-[(2,6-dichlorophenyl)methoxy]-4-fluorophenyl]ethanamine has a molecular weight of 314.19 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[(2,6-dichlorophenyl)methoxy]-4-fluorophenyl]ethanamine is sourced from PubChem (CID 63368063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).